data_tam _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H52 Fe12 O88 S4 Te16' _chemical_formula_weight 4300.46 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Te' 'Te' -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting ? _symmetry_space_group_name_H-M ? loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 16.979(10) _cell_length_b 7.310(4) _cell_length_c 16.666(9) _cell_angle_alpha 90.00 _cell_angle_beta 108.857(11) _cell_angle_gamma 90.00 _cell_volume 1957.5(19) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description ? _exptl_crystal_colour ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 3.648 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1964 _exptl_absorpt_coefficient_mu 8.248 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 12873 _diffrn_reflns_av_R_equivalents 0.0495 _diffrn_reflns_av_sigmaI/netI 0.0372 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 20 _diffrn_reflns_limit_k_min -8 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.48 _diffrn_reflns_theta_max 25.00 _reflns_number_total 3435 _reflns_number_gt 2954 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics ? _computing_publication_material ? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0312P)^2^+52.7000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00058(9) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3435 _refine_ls_number_parameters 272 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0523 _refine_ls_R_factor_gt 0.0425 _refine_ls_wR_factor_ref 0.1028 _refine_ls_wR_factor_gt 0.0991 _refine_ls_goodness_of_fit_ref 1.174 _refine_ls_restrained_S_all 1.174 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Te1 Te 0.10045(4) 0.11220(9) 0.50675(4) 0.00918(19) Uani 1 1 d . . . Te2 Te 0.81569(4) 0.10822(9) -0.02662(4) 0.00942(19) Uani 1 1 d . . . Te3 Te 0.00104(4) 0.13724(9) 0.71679(4) 0.01088(19) Uani 1 1 d . . . Te4 Te 0.21777(5) 0.08142(10) 0.27789(5) 0.0136(2) Uani 1 1 d . . . Fe1 Fe 0.01378(9) 0.0020(2) 0.09581(9) 0.0087(3) Uani 1 1 d . . . Fe2 Fe 0.87205(10) 0.3328(2) 0.81165(10) 0.0098(3) Uani 1 1 d . . . Fe3 Fe 0.28760(10) 0.0204(2) 0.61902(10) 0.0115(3) Uani 1 1 d . . . S S 0.60670(18) 0.1753(4) 0.78153(19) 0.0172(6) Uani 1 1 d . . . O1 O 0.5286(5) 0.0864(13) 0.7761(6) 0.029(2) Uani 1 1 d . . . O2 O 0.6080(6) 0.2480(13) 0.6988(5) 0.027(2) Uani 1 1 d . . . O3 O 0.6772(5) 0.0454(11) 0.8138(5) 0.0234(19) Uani 1 1 d . . . O4 O 0.6211(5) 0.3309(11) 0.8436(5) 0.0178(17) Uani 1 1 d . . . O5 O 0.2007(5) 0.2064(10) 0.5780(5) 0.0137(16) Uani 1 1 d . . . O6 O 0.0646(5) -0.0011(10) 0.5897(5) 0.0147(16) Uani 1 1 d . . . O7 O 0.0446(4) 0.3424(10) 0.5074(4) 0.0106(15) Uani 1 1 d . . . O8 O 0.9091(5) 0.1362(11) 0.0694(5) 0.0169(17) Uani 1 1 d . . . O9 O 0.7914(5) 0.3598(10) -0.0344(5) 0.0134(16) Uani 1 1 d . . . O10 O 0.8744(4) 0.1234(10) -0.1100(5) 0.0106(15) Uani 1 1 d . . . O11 O 0.0993(5) 0.0045(10) 0.7651(5) 0.0113(16) Uani 1 1 d . . . O12 O 0.0575(5) 0.3536(10) 0.7021(4) 0.0127(16) Uani 1 1 d . . . O13 O -0.0078(5) 0.2096(10) 0.8240(5) 0.0121(16) Uani 1 1 d . . . O14 O 0.1752(5) -0.1503(10) 0.2862(5) 0.0142(16) Uani 1 1 d . . . OH1 O 0.1882(5) 0.2010(12) 0.3662(5) 0.0217(19) Uani 1 1 d . . . OH2 O 0.3216(5) 0.0291(12) 0.3644(5) 0.0217(19) Uani 1 1 d . . . OH3 O 0.7614(5) 0.0620(11) 0.2932(5) 0.0144(16) Uani 1 1 d . . . OW1 O 0.3467(5) 0.0898(13) 0.5341(5) 0.025(2) Uani 1 1 d . . . OW2 O 0.3683(5) 0.1915(11) 0.7035(5) 0.0180(18) Uani 1 1 d . . . OW3 O 0.7410(6) 0.1067(14) 0.0868(6) 0.038(2) Uani 1 1 d . . . OW4 O 0.4657(6) 0.1669(14) 0.0681(6) 0.035(2) Uani 1 1 d . . . OW5 O 0.5819(7) 0.1860(16) -0.0150(7) 0.043(3) Uani 1 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Te1 0.0135(4) 0.0056(3) 0.0095(3) 0.0004(3) 0.0051(3) 0.0003(3) Te2 0.0129(4) 0.0065(3) 0.0101(3) 0.0004(3) 0.0055(3) 0.0004(3) Te3 0.0165(4) 0.0072(3) 0.0112(4) 0.0009(3) 0.0076(3) 0.0005(3) Te4 0.0182(4) 0.0105(4) 0.0129(4) -0.0009(3) 0.0060(3) -0.0021(3) Fe1 0.0125(8) 0.0070(7) 0.0075(7) -0.0001(6) 0.0047(6) 0.0004(6) Fe2 0.0141(8) 0.0059(7) 0.0112(8) 0.0006(6) 0.0069(6) -0.0005(6) Fe3 0.0108(8) 0.0083(8) 0.0154(8) -0.0005(6) 0.0043(6) -0.0011(6) S 0.0158(15) 0.0121(14) 0.0213(15) -0.0015(12) 0.0025(12) -0.0002(11) O1 0.021(5) 0.024(5) 0.040(6) -0.002(4) 0.005(4) -0.002(4) O2 0.033(5) 0.030(5) 0.015(4) -0.001(4) 0.006(4) 0.004(4) O3 0.024(5) 0.017(4) 0.022(4) 0.004(4) -0.001(4) 0.006(4) O4 0.019(4) 0.010(4) 0.025(4) -0.004(3) 0.007(3) -0.002(3) O5 0.016(4) 0.008(4) 0.013(4) 0.001(3) 0.000(3) -0.002(3) O6 0.016(4) 0.006(4) 0.027(4) 0.001(3) 0.014(3) 0.003(3) O7 0.010(4) 0.011(4) 0.010(4) 0.000(3) 0.002(3) 0.001(3) O8 0.011(4) 0.025(5) 0.013(4) 0.002(3) 0.001(3) 0.006(3) O9 0.020(4) 0.007(4) 0.016(4) 0.000(3) 0.009(3) 0.001(3) O10 0.010(4) 0.010(4) 0.012(4) -0.004(3) 0.005(3) -0.002(3) O11 0.016(4) 0.005(4) 0.015(4) -0.001(3) 0.008(3) 0.002(3) O12 0.017(4) 0.016(4) 0.008(4) 0.001(3) 0.007(3) -0.006(3) O13 0.013(4) 0.011(4) 0.012(4) 0.001(3) 0.004(3) 0.002(3) O14 0.017(4) 0.014(4) 0.010(4) 0.001(3) 0.002(3) 0.002(3) OH1 0.025(5) 0.025(5) 0.017(4) -0.006(4) 0.010(4) 0.000(4) OH2 0.022(5) 0.026(5) 0.016(4) -0.003(4) 0.005(3) 0.000(4) OH3 0.014(4) 0.015(4) 0.016(4) 0.002(3) 0.007(3) -0.003(3) OW1 0.027(5) 0.036(5) 0.016(4) 0.000(4) 0.012(4) -0.006(4) OW2 0.017(4) 0.013(4) 0.020(4) -0.003(3) 0.000(3) 0.001(3) OW3 0.039(6) 0.038(6) 0.040(6) -0.023(5) 0.017(5) -0.003(5) OW4 0.036(6) 0.042(6) 0.029(5) -0.005(4) 0.013(4) 0.011(5) OW5 0.046(7) 0.047(7) 0.040(6) 0.004(5) 0.021(5) -0.004(5) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Te1 O5 1.864(7) . ? Te1 O6 1.874(8) . ? Te1 O7 1.933(7) . ? Te1 O9 2.539(8) 2_645 ? Te1 O6 2.861(8) 3_556 ? Te1 Fe3 3.195(2) . ? Te1 OH1 3.223(8) . ? Te1 O13 3.276(7) 4_565 ? Te1 Fe2 3.555(2) 2_646 ? Te1 Fe1 3.558(2) 2 ? Te1 OH3 3.631(8) 3_656 ? Te1 O8 3.689(8) 2_645 ? Te1 Fe1 3.706(2) 4_566 ? Te1 Te1 3.726(2) 3_556 ? Te1 Te2 3.870(2) 2_655 ? Te1 Te2 3.925(2) 2_645 ? Te1 Te3 4.0029(19) 3_556 ? Te1 OW1 4.060(9) . ? Te1 Fe2 4.198(2) 4_465 ? Te1 Te3 4.354(2) . ? Te1 OW2 4.704(8) . ? Te1 Te4 4.845(2) . ? Te1 Te4 4.856(2) 4_566 ? Te1 Te3 4.928(3) 4_565 ? Te1 OW3 5.045(10) 2_655 ? Te1 OH2 5.084(9) . ? Te1 OW3 5.103(11) 2_645 ? Te1 Te2 5.111(3) 4_466 ? Te2 O8 1.865(7) . ? Te2 O9 1.880(7) . ? Te2 O10 1.958(7) . ? Te2 OW3 2.594(10) . ? Te2 O3 2.961(8) 1_554 ? Te2 O7 3.003(7) 2_645 ? Te2 O5 3.047(8) 2_645 ? Te2 Fe1 3.412(2) 1_655 ? Te2 Fe1 3.539(2) 3_655 ? Te2 Fe2 3.542(2) 1_554 ? Te2 Fe3 3.575(2) 2_655 ? Te2 O4 3.691(8) 1_554 ? Te2 OH3 3.727(8) 4_565 ? Te2 O7 3.759(7) 4_665 ? Te2 O6 3.843(7) 2_655 ? Te2 Te1 3.870(2) 2_645 ? Te2 Te1 3.925(2) 2_655 ? Te2 S 3.965(3) 1_554 ? Te2 OH1 4.016(8) 2_645 ? Te2 OW5 4.077(11) . ? Te2 Te4 4.271(2) 3_655 ? Te2 OW1 4.448(9) 2_655 ? Te2 Te3 4.644(2) 4_665 ? Te2 OW1 4.665(10) 2_645 ? Te2 OW2 4.666(8) 2_645 ? Te2 OW4 5.021(11) 3_655 ? Te2 OH1 5.104(9) 2_655 ? Te2 Te1 5.111(3) 4_665 ? Te2 OH2 5.126(9) 2_655 ? Te2 Te3 5.402(2) 3_656 ? Te2 OH2 5.446(8) 3_655 ? Te2 OW2 5.538(8) 2_655 ? Te2 Te4 5.567(2) 2_655 ? Te2 OH3 5.664(8) 4 ? Te2 Te4 5.819(2) 2_645 ? Te3 O11 1.872(7) . ? Te3 O12 1.906(7) . ? Te3 O13 1.915(7) . ? Te3 O12 2.826(8) 2_546 ? Te3 O6 2.855(8) . ? Te3 O8 2.955(8) 4_466 ? Te3 O14 2.978(8) 3_556 ? Te3 O13 3.209(8) 2_546 ? Te3 Fe2 3.237(2) 2_646 ? Te3 O11 3.246(7) 2_556 ? Te3 Fe1 3.368(2) 4_566 ? Te3 Fe1 3.371(2) 3_556 ? Te3 Fe2 3.403(2) 1_455 ? Te3 OH1 3.547(9) 4_566 ? Te3 Te3 3.822(2) 2_556 ? Te3 Te3 3.822(2) 2_546 ? Te3 OH1 3.934(9) 3_556 ? Te3 Te1 4.0029(19) 3_556 ? Te3 Te4 4.048(2) 4_566 ? Te3 Te4 4.072(2) 3_556 ? Te3 OH3 4.341(8) 3_656 ? Te3 OW3 4.638(10) 4_466 ? Te3 Te2 4.644(2) 4_466 ? Te3 OW3 4.880(11) 3_656 ? Te3 Te1 4.928(3) 4_566 ? Te3 OH3 5.134(8) 4_466 ? Te3 OH2 5.340(9) 3_556 ? Te3 Te2 5.402(2) 3_656 ? Te4 O14 1.864(8) . ? Te4 OH1 1.913(8) . ? Te4 OH2 1.921(8) . ? Te4 O12 2.646(8) 4_565 ? Te4 O3 2.852(9) 3_656 ? Te4 O10 3.112(7) 3_655 ? Te4 Fe2 3.500(2) 3_656 ? Te4 OW2 3.588(8) 4_565 ? Te4 O5 3.601(8) 4_565 ? Te4 O11 3.602(7) 4_565 ? Te4 O2 3.737(9) 3_656 ? Te4 OH3 3.760(8) 2_655 ? Te4 Fe1 3.840(2) . ? Te4 S 3.911(3) 3_656 ? Te4 OH3 4.027(8) 2_645 ? Te4 Te3 4.048(2) 4_565 ? Te4 Te3 4.072(2) 3_556 ? Te4 OW3 4.074(9) 2_645 ? Te4 OW1 4.122(8) . ? Te4 Te2 4.271(2) 3_655 ? Te4 Fe3 4.349(2) 4_565 ? Te4 OW3 4.393(11) 2_655 ? Te4 Te1 4.856(2) 4_565 ? Te4 OW5 5.182(11) 2_645 ? Te4 Te2 5.567(2) 2_645 ? Te4 OW4 5.598(10) 4_566 ? Te4 Te2 5.819(2) 2_655 ? Fe1 O8 1.951(8) 1_455 ? Fe1 O12 1.988(7) 4_565 ? Fe1 O7 2.050(7) 2_545 ? Fe1 O10 2.052(7) 3_655 ? Fe1 O7 2.058(7) 4_565 ? Fe1 O13 2.068(8) 3_556 ? Fe1 Te3 3.368(2) 4_565 ? Fe1 Te3 3.371(2) 3_556 ? Fe1 Te2 3.412(2) 1_455 ? Fe1 Te2 3.539(2) 3_655 ? Fe1 Te1 3.558(2) 2_545 ? Fe1 Te1 3.706(2) 4_565 ? Fe2 OH3 1.960(8) 4_566 ? Fe2 O11 1.962(7) 2_656 ? Fe2 O10 2.003(8) 1_556 ? Fe2 O6 2.046(8) 2_656 ? Fe2 O14 2.058(8) 3_656 ? Fe2 O13 2.178(8) 1_655 ? Fe2 Te3 3.237(2) 2_656 ? Fe2 Te3 3.403(2) 1_655 ? Fe2 Te4 3.500(2) 3_656 ? Fe2 Te2 3.542(2) 1_556 ? Fe2 Te1 3.555(2) 2_656 ? Fe2 OW3 3.715(10) 4_566 ? Fe3 O5 1.960(8) . ? Fe3 O9 1.986(8) 2_645 ? Fe3 OH3 1.996(8) 3_656 ? Fe3 O4 2.021(8) 2_646 ? Fe3 OW2 2.044(8) . ? Fe3 OW1 2.045(8) . ? Fe3 Te2 3.575(2) 2_645 ? Fe3 OW5 4.046(11) 2_645 ? Fe3 OW4 4.092(10) 4_566 ? Fe3 OH1 4.213(9) . ? Fe3 Te4 4.349(2) 4_566 ? S O1 1.453(10) . ? S O2 1.484(9) . ? S O3 1.486(9) . ? S O4 1.503(8) . ? S OH3 3.209(8) 4_566 ? S OH2 3.399(9) 3_656 ? S OW5 3.550(11) 1_556 ? S OW2 3.561(9) 2_646 ? S OW4 3.769(10) 4_566 ? S OW2 3.796(9) 2_656 ? S OW2 3.832(9) . ? S Te4 3.911(3) 3_656 ? O1 OW2 2.708(12) . ? O1 OW4 3.165(14) 3_656 ? O1 OW2 3.336(12) 2_646 ? O1 OW5 3.381(14) 1_556 ? O2 OH2 2.732(12) 3_656 ? O2 OW4 2.751(13) 4_566 ? O2 OH3 2.923(12) 4_566 ? O2 OW5 3.480(14) 4_566 ? O2 OW3 3.528(13) 4_566 ? O2 OW2 3.591(12) 2_656 ? O2 Te4 3.737(9) 3_656 ? O3 OW2 2.689(12) 2_646 ? O3 Te4 2.852(9) 3_656 ? O3 Te2 2.961(8) 1_556 ? O3 OH2 3.028(12) 3_656 ? O3 OH3 3.274(12) 4_566 ? O4 Fe3 2.021(8) 2_656 ? O4 OW1 2.705(12) 2_656 ? O4 OW2 2.772(11) 2_656 ? O4 OW5 2.852(13) 1_556 ? O4 OH3 2.879(11) 4_566 ? O4 Te2 3.691(8) 1_556 ? O5 OH3 2.825(11) 3_656 ? O5 OW1 2.929(12) . ? O5 OW2 2.939(11) . ? O5 Te2 3.047(8) 2_655 ? O5 OH1 3.468(11) . ? O5 Te4 3.601(8) 4_566 ? O6 Fe2 2.046(8) 2_646 ? O6 Te1 2.862(8) 3_556 ? O6 OH3 3.000(11) 3_656 ? O6 Te2 3.843(7) 2_645 ? O7 Fe1 2.050(7) 2 ? O7 Fe1 2.058(7) 4_566 ? O7 Te2 3.003(7) 2_655 ? O7 Te2 3.759(7) 4_466 ? O8 Fe1 1.951(8) 1_655 ? O8 Te3 2.955(8) 4_665 ? O8 OW3 2.968(13) . ? O8 Te1 3.689(8) 2_655 ? O9 Fe3 1.986(8) 2_655 ? O9 Te1 2.539(8) 2_655 ? O9 OH3 2.810(11) 4_565 ? O9 OW1 2.886(12) 2_655 ? O9 OW3 3.057(13) . ? O10 Fe2 2.003(8) 1_554 ? O10 Fe1 2.052(7) 3_655 ? O10 OH3 3.094(11) 4_565 ? O10 Te4 3.112(7) 3_655 ? O11 Fe2 1.962(7) 2_646 ? O11 OH1 2.847(11) 4_566 ? O11 OH3 2.873(11) 3_656 ? O11 OW3 3.128(13) 3_656 ? O11 Te3 3.246(7) 2_546 ? O11 Te4 3.602(7) 4_566 ? O12 Fe1 1.988(7) 4_566 ? O12 Te4 2.646(8) 4_566 ? O12 Te3 2.826(8) 2_556 ? O12 OH1 2.939(11) 4_566 ? O13 Fe1 2.068(8) 3_556 ? O13 Fe2 2.178(8) 1_455 ? O13 Te3 3.209(8) 2_556 ? O13 OH1 3.238(11) 4_566 ? O13 Te1 3.276(7) 4_566 ? O14 Fe2 2.058(8) 3_656 ? O14 OH2 2.739(11) . ? O14 OW3 2.778(12) 2_645 ? O14 OH1 2.869(11) . ? O14 OH3 2.873(11) 2_645 ? O14 Te3 2.978(8) 3_556 ? OH1 OH2 2.598(12) . ? OH1 O11 2.847(11) 4_565 ? OH1 O12 2.939(11) 4_565 ? OH1 OW3 3.201(14) 2_655 ? OH1 O13 3.238(11) 4_565 ? OH1 OW1 3.297(12) . ? OH1 Te3 3.547(9) 4_565 ? OH1 Te3 3.934(9) 3_556 ? OH1 Te2 4.016(8) 2_655 ? OH1 OH3 4.027(12) 2_655 ? OH1 OW3 4.509(13) 2_645 ? OH1 OW2 4.762(12) 4_565 ? OH1 OW4 4.920(13) 4_566 ? OH1 Te2 5.104(9) 2_645 ? OH1 OW5 5.264(14) 2_655 ? OH2 O2 2.732(12) 3_656 ? OH2 OW1 2.756(11) . ? OH2 O3 3.028(12) 3_656 ? OH2 S 3.399(9) 3_656 ? OH2 OW3 3.447(13) 2_645 ? OH2 OW5 3.552(14) 2_645 ? OH2 OW2 3.657(12) 4_565 ? OH2 OW4 4.132(13) 4_566 ? OH2 OH3 4.261(11) 2_645 ? OH2 OW4 4.324(14) 2_645 ? OH2 OW3 4.492(14) 2_655 ? OH2 OH3 4.655(12) 2_655 ? OH2 OW5 4.708(14) 4_566 ? OH2 Te2 5.126(9) 2_645 ? OH2 Te3 5.340(9) 3_556 ? OH2 OW1 5.402(13) 3_656 ? OH3 Fe2 1.960(8) 4_565 ? OH3 Fe3 1.996(8) 3_656 ? OH3 O9 2.810(11) 4_566 ? OH3 O5 2.825(11) 3_656 ? OH3 O14 2.873(11) 2_655 ? OH3 O11 2.873(11) 3_656 ? OH3 O4 2.879(11) 4_565 ? OH3 OW2 2.892(11) 3_656 ? OH3 O2 2.923(12) 4_565 ? OH3 O6 3.000(11) 3_656 ? OH3 O10 3.094(11) 4_566 ? OH3 S 3.209(8) 4_565 ? OH3 O3 3.274(12) 4_565 ? OH3 OW3 3.361(13) . ? OH3 Te1 3.631(8) 3_656 ? OH3 Te2 3.727(8) 4_566 ? OH3 Te4 3.760(8) 2_645 ? OH3 OH1 4.027(12) 2_645 ? OH3 Te4 4.027(8) 2_655 ? OH3 OW1 4.037(11) 3_656 ? OW1 OW4 2.612(13) 4_566 ? OW1 O4 2.705(12) 2_646 ? OW1 OW2 2.826(11) . ? OW1 O9 2.886(12) 2_645 ? OW1 OW5 3.245(15) 2_645 ? OW1 OH3 4.037(11) 3_656 ? OW1 OW3 4.100(14) 2_645 ? OW1 OW3 4.315(13) 2_655 ? OW1 Te2 4.448(9) 2_645 ? OW1 OW5 4.563(15) 2_655 ? OW1 OW5 4.628(14) 4_566 ? OW1 Te2 4.665(10) 2_655 ? OW1 OW4 5.110(14) 2_645 ? OW1 OH2 5.402(13) 3_656 ? OW2 O3 2.689(12) 2_656 ? OW2 O4 2.772(11) 2_646 ? OW2 OH3 2.892(11) 3_656 ? OW2 O1 3.336(12) 2_656 ? OW2 OW4 3.362(13) 4_566 ? OW2 S 3.561(9) 2_656 ? OW2 Te4 3.588(8) 4_566 ? OW2 O2 3.591(12) 2_646 ? OW2 OH2 3.657(12) 4_566 ? OW2 S 3.796(9) 2_646 ? OW2 Te2 4.666(8) 2_655 ? OW2 OW4 4.729(13) 3_656 ? OW2 OH1 4.762(12) 4_566 ? OW2 OW5 4.915(13) 1_556 ? OW3 OW5 2.748(15) . ? OW3 O14 2.778(12) 2_655 ? OW3 O11 3.128(13) 3_656 ? OW3 OH1 3.201(14) 2_645 ? OW3 OH2 3.447(13) 2_655 ? OW3 O2 3.528(13) 4_565 ? OW3 Fe2 3.715(10) 4_565 ? OW3 Te4 4.074(9) 2_655 ? OW3 OW1 4.100(14) 2_655 ? OW3 OW4 4.138(14) 3_655 ? OW3 OW1 4.315(13) 2_645 ? OW3 Te4 4.393(11) 2_645 ? OW3 OH2 4.492(14) 2_645 ? OW3 OH1 4.509(13) 2_655 ? OW3 OW4 4.605(14) . ? OW3 Te3 4.638(10) 4_665 ? OW4 OW1 2.612(13) 4_565 ? OW4 O2 2.751(13) 4_565 ? OW4 OW5 2.757(14) . ? OW4 OW5 2.762(16) 3_655 ? OW4 O1 3.165(14) 3_656 ? OW4 OW2 3.362(13) 4_565 ? OW4 OW4 3.766(19) 3_655 ? OW4 S 3.769(10) 4_565 ? OW4 S 4.005(11) 3_656 ? OW4 Fe3 4.092(10) 4_565 ? OW4 OH2 4.132(13) 4_565 ? OW4 OW3 4.138(14) 3_655 ? OW4 OH2 4.324(14) 2_655 ? OW4 OW2 4.729(13) 3_656 ? OW4 OW5 4.831(16) 3_665 ? OW4 OH1 4.920(13) 4_565 ? OW4 Te2 5.021(11) 3_655 ? OW4 OW1 5.110(14) 2_655 ? OW5 OW4 2.762(16) 3_655 ? OW5 O4 2.852(13) 1_554 ? OW5 OW1 3.245(15) 2_655 ? OW5 O1 3.381(14) 1_554 ? OW5 O2 3.480(14) 4_565 ? OW5 S 3.550(11) 1_554 ? OW5 OH2 3.552(14) 2_655 ? OW5 OW5 4.03(2) 3_655 ? OW5 Fe3 4.046(11) 2_655 ? OW5 OW1 4.563(15) 2_645 ? OW5 OW1 4.628(14) 4_565 ? OW5 OH2 4.708(14) 4_565 ? OW5 OW4 4.831(16) 3_665 ? OW5 OW2 4.915(13) 1_554 ? OW5 OW2 5.037(14) 2_645 ? OW5 OW2 5.094(13) 2_655 ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O5 Te1 O6 98.1(3) . . ? O5 Te1 O7 91.3(3) . . ? O6 Te1 O7 96.0(3) . . ? O5 Te1 O9 72.2(3) . 2_645 ? O6 Te1 O9 86.2(3) . 2_645 ? O7 Te1 O9 163.6(3) . 2_645 ? O5 Te1 O6 171.8(3) . 3_556 ? O6 Te1 O6 78.3(3) . 3_556 ? O7 Te1 O6 81.8(3) . 3_556 ? O9 Te1 O6 114.6(2) 2_645 3_556 ? O5 Te1 Fe3 34.3(2) . . ? O6 Te1 Fe3 88.5(2) . . ? O7 Te1 Fe3 125.2(2) . . ? O9 Te1 Fe3 38.42(17) 2_645 . ? O6 Te1 Fe3 151.38(15) 3_556 . ? O5 Te1 OH1 81.2(3) . . ? O6 Te1 OH1 164.2(3) . . ? O7 Te1 OH1 99.9(3) . . ? O9 Te1 OH1 78.5(2) 2_645 . ? O6 Te1 OH1 104.3(2) 3_556 . ? Fe3 Te1 OH1 82.08(16) . . ? O5 Te1 O13 124.6(3) . 4_565 ? O6 Te1 O13 130.1(3) . 4_565 ? O7 Te1 O13 62.0(2) . 4_565 ? O9 Te1 O13 127.8(2) 2_645 4_565 ? O6 Te1 O13 55.7(2) 3_556 4_565 ? Fe3 Te1 O13 141.35(13) . 4_565 ? OH1 Te1 O13 59.8(2) . 4_565 ? O5 Te1 Fe2 80.1(2) . 2_646 ? O6 Te1 Fe2 26.2(2) . 2_646 ? O7 Te1 Fe2 115.1(2) . 2_646 ? O9 Te1 Fe2 62.58(17) 2_645 2_646 ? O6 Te1 Fe2 98.67(16) 3_556 2_646 ? Fe3 Te1 Fe2 63.16(4) . 2_646 ? OH1 Te1 Fe2 140.39(16) . 2_646 ? O13 Te1 Fe2 154.14(13) 4_565 2_646 ? O5 Te1 Fe1 104.7(2) . 2 ? O6 Te1 Fe1 116.9(2) . 2 ? O7 Te1 Fe1 27.6(2) . 2 ? O9 Te1 Fe1 156.85(17) 2_645 2 ? O6 Te1 Fe1 71.00(15) 3_556 2 ? Fe3 Te1 Fe1 137.24(4) . 2 ? OH1 Te1 Fe1 78.33(16) . 2 ? O13 Te1 Fe1 34.92(13) 4_565 2 ? Fe2 Te1 Fe1 140.39(4) 2_646 2 ? O5 Te1 OH3 50.1(3) . 3_656 ? O6 Te1 OH3 55.6(3) . 3_656 ? O7 Te1 OH3 118.2(2) . 3_656 ? O9 Te1 OH3 50.5(2) 2_645 3_656 ? O6 Te1 OH3 129.9(2) 3_556 3_656 ? Fe3 Te1 OH3 33.23(12) . 3_656 ? OH1 Te1 OH3 115.2(2) . 3_656 ? O13 Te1 OH3 174.22(18) 4_565 3_656 ? Fe2 Te1 OH3 31.63(12) 2_646 3_656 ? Fe1 Te1 OH3 144.29(13) 2 3_656 ? O5 Te1 O8 119.8(3) . 2_645 ? O6 Te1 O8 81.3(3) . 2_645 ? O7 Te1 O8 148.8(2) . 2_645 ? O9 Te1 O8 47.6(2) 2_645 2_645 ? O6 Te1 O8 67.22(19) 3_556 2_645 ? Fe3 Te1 O8 85.89(12) . 2_645 ? OH1 Te1 O8 85.4(2) . 2_645 ? O13 Te1 O8 96.08(18) 4_565 2_645 ? Fe2 Te1 O8 74.35(13) 2_646 2_645 ? Fe1 Te1 O8 129.30(12) 2 2_645 ? OH3 Te1 O8 85.92(17) 3_656 2_645 ? O5 Te1 Fe1 82.1(2) . 4_566 ? O6 Te1 Fe1 77.0(2) . 4_566 ? O7 Te1 Fe1 22.5(2) . 4_566 ? O9 Te1 Fe1 146.94(17) 2_645 4_566 ? O6 Te1 Fe1 89.85(15) 3_556 4_566 ? Fe3 Te1 Fe1 111.95(5) . 4_566 ? OH1 Te1 Fe1 118.33(16) . 4_566 ? O13 Te1 Fe1 83.90(14) 4_565 4_566 ? Fe2 Te1 Fe1 93.21(5) 2_646 4_566 ? Fe1 Te1 Fe1 50.03(5) 2 4_566 ? OH3 Te1 Fe1 96.96(13) 3_656 4_566 ? O8 Te1 Fe1 151.22(13) 2_645 4_566 ? O5 Te1 Te1 146.2(2) . 3_556 ? O6 Te1 Te1 48.8(2) . 3_556 ? O7 Te1 Te1 86.7(2) . 3_556 ? O9 Te1 Te1 106.60(18) 2_645 3_556 ? O6 Te1 Te1 29.51(16) 3_556 3_556 ? Fe3 Te1 Te1 131.36(5) . 3_556 ? OH1 Te1 Te1 132.39(15) . 3_556 ? O13 Te1 Te1 83.76(13) 4_565 3_556 ? Fe2 Te1 Te1 70.38(4) 2_646 3_556 ? Fe1 Te1 Te1 88.70(5) 2 3_556 ? OH3 Te1 Te1 102.01(12) 3_656 3_556 ? O8 Te1 Te1 68.06(12) 2_645 3_556 ? Fe1 Te1 Te1 83.39(5) 4_566 3_556 ? O5 Te1 Te2 50.5(2) . 2_655 ? O6 Te1 Te2 123.3(2) . 2_655 ? O7 Te1 Te2 49.6(2) . 2_655 ? O9 Te1 Te2 116.16(17) 2_645 2_655 ? O6 Te1 Te2 125.47(15) 3_556 2_655 ? Fe3 Te1 Te2 82.99(4) . 2_655 ? OH1 Te1 Te2 68.27(15) . 2_655 ? O13 Te1 Te2 77.72(13) 4_565 2_655 ? Fe2 Te1 Te2 121.46(4) 2_646 2_655 ? Fe1 Te1 Te2 54.49(4) 2 2_655 ? OH3 Te1 Te2 98.01(12) 3_656 2_655 ? O8 Te1 Te2 152.51(12) 2_645 2_655 ? Fe1 Te1 Te2 55.64(4) 4_566 2_655 ? Te1 Te1 Te2 136.22(3) 3_556 2_655 ? O5 Te1 Te2 93.5(2) . 2_645 ? O6 Te1 Te2 73.6(2) . 2_645 ? O7 Te1 Te2 169.0(2) . 2_645 ? O9 Te1 Te2 23.21(17) 2_645 2_645 ? O6 Te1 Te2 92.52(15) 3_556 2_645 ? Fe3 Te1 Te2 59.23(3) . 2_645 ? OH1 Te1 Te2 90.58(16) . 2_645 ? O13 Te1 Te2 122.06(13) 4_565 2_645 ? Fe2 Te1 Te2 56.26(3) 2_646 2_645 ? Fe1 Te1 Te2 156.76(3) 2 2_645 ? OH3 Te1 Te2 58.96(12) 3_656 2_645 ? O8 Te1 Te2 28.15(12) 2_645 2_645 ? Fe1 Te1 Te2 149.39(4) 4_566 2_645 ? Te1 Te1 Te2 83.80(4) 3_556 2_645 ? Te2 Te1 Te2 139.35(4) 2_655 2_645 ? O5 Te1 Te3 142.3(2) . 3_556 ? O6 Te1 Te3 109.9(2) . 3_556 ? O7 Te1 Te3 109.7(2) . 3_556 ? O9 Te1 Te3 84.63(17) 2_645 3_556 ? O6 Te1 Te3 45.48(15) 3_556 3_556 ? Fe3 Te1 Te3 119.80(4) . 3_556 ? OH1 Te1 Te3 64.93(15) . 3_556 ? O13 Te1 Te3 51.13(13) 4_565 3_556 ? Fe2 Te1 Te3 115.42(5) 2_646 3_556 ? Fe1 Te1 Te3 85.06(4) 2 3_556 ? OH3 Te1 Te3 130.61(13) 3_656 3_556 ? O8 Te1 Te3 44.95(12) 2_645 3_556 ? Fe1 Te1 Te3 127.75(4) 4_566 3_556 ? Te1 Te1 Te3 68.46(3) 3_556 3_556 ? Te2 Te1 Te3 122.83(3) 2_655 3_556 ? Te2 Te1 Te3 71.72(3) 2_645 3_556 ? O5 Te1 OW1 41.3(3) . . ? O6 Te1 OW1 117.8(3) . . ? O7 Te1 OW1 121.6(3) . . ? O9 Te1 OW1 44.9(2) 2_645 . ? O6 Te1 OW1 146.91(19) 3_556 . ? Fe3 Te1 OW1 29.82(12) . . ? OH1 Te1 OW1 52.31(19) . . ? O13 Te1 OW1 111.62(18) 4_565 . ? Fe2 Te1 OW1 91.95(12) 2_646 . ? Fe1 Te1 OW1 117.90(13) 2 . ? OH3 Te1 OW1 63.04(17) 3_656 . ? O8 Te1 OW1 85.98(17) 2_645 . ? Fe1 Te1 OW1 120.90(13) 4_566 . ? Te1 Te1 OW1 151.46(14) 3_556 . ? Te2 Te1 OW1 72.01(13) 2_655 . ? Te2 Te1 OW1 67.68(13) 2_645 . ? Te3 Te1 OW1 101.78(12) 3_556 . ? O5 Te1 Fe2 152.0(2) . 4_465 ? O6 Te1 Fe2 100.1(2) . 4_465 ? O7 Te1 Fe2 65.7(2) . 4_465 ? O9 Te1 Fe2 130.04(17) 2_645 4_465 ? O6 Te1 Fe2 25.84(15) 3_556 4_465 ? Fe3 Te1 Fe2 165.65(4) . 4_465 ? OH1 Te1 Fe2 86.90(16) . 4_465 ? O13 Te1 Fe2 30.86(13) 4_565 4_465 ? Fe2 Te1 Fe2 123.28(4) 2_646 4_465 ? Fe1 Te1 Fe2 47.75(4) 2 4_465 ? OH3 Te1 Fe2 154.91(12) 3_656 4_465 ? O8 Te1 Fe2 84.08(12) 2_645 4_465 ? Fe1 Te1 Fe2 81.39(4) 4_566 4_465 ? Te1 Te1 Fe2 52.90(4) 3_556 4_465 ? Te2 Te1 Fe2 101.47(3) 2_655 4_465 ? Te2 Te1 Fe2 111.99(3) 2_645 4_465 ? Te3 Te1 Fe2 46.43(3) 3_556 4_465 ? OW1 Te1 Fe2 138.67(12) . 4_465 ? O5 Te1 Te3 89.1(2) . . ? O6 Te1 Te3 28.7(2) . . ? O7 Te1 Te3 68.9(2) . . ? O9 Te1 Te3 109.29(17) 2_645 . ? O6 Te1 Te3 84.26(16) 3_556 . ? Fe3 Te1 Te3 96.24(5) . . ? OH1 Te1 Te3 165.12(15) . . ? O13 Te1 Te3 118.95(14) 4_565 . ? Fe2 Te1 Te3 47.00(4) 2_646 . ? Fe1 Te1 Te3 93.43(4) 2 . ? OH3 Te1 Te3 65.14(13) 3_656 . ? O8 Te1 Te3 109.32(12) 2_645 . ? Fe1 Te1 Te3 48.59(3) 4_566 . ? Te1 Te1 Te3 58.78(3) 3_556 . ? Te2 Te1 Te3 96.85(2) 2_655 . ? Te2 Te1 Te3 101.30(2) 2_645 . ? Te3 Te1 Te3 127.25(4) 3_556 . ? OW1 Te1 Te3 124.34(12) . . ? Fe2 Te1 Te3 96.75(5) 4_465 . ? O5 Te1 OW2 14.7(2) . . ? O6 Te1 OW2 90.6(3) . . ? O7 Te1 OW2 104.7(2) . . ? O9 Te1 OW2 58.9(2) 2_645 . ? O6 Te1 OW2 167.79(18) 3_556 . ? Fe3 Te1 OW2 20.47(10) . . ? OH1 Te1 OW2 84.95(19) . . ? O13 Te1 OW2 136.42(17) 4_565 . ? Fe2 Te1 OW2 69.27(11) 2_646 . ? Fe1 Te1 OW2 119.35(10) 2 . ? OH3 Te1 OW2 37.92(16) 3_656 . ? O8 Te1 OW2 106.33(15) 2_645 . ? Fe1 Te1 OW2 92.67(11) 4_566 . ? Te1 Te1 OW2 139.14(11) 3_556 . ? Te2 Te1 OW2 65.09(10) 2_655 . ? Te2 Te1 OW2 79.29(10) 2_645 . ? Te3 Te1 OW2 137.16(10) 3_556 . ? OW1 Te1 OW2 36.70(16) . . ? Fe2 Te1 OW2 166.17(10) 4_465 . ? Te3 Te1 OW2 88.46(11) . . ? O5 Te1 Te4 89.7(2) . . ? O6 Te1 Te4 151.0(2) . . ? O7 Te1 Te4 111.8(2) . . ? O9 Te1 Te4 69.62(17) 2_645 . ? O6 Te1 Te4 96.99(16) 3_556 . ? Fe3 Te1 Te4 82.37(5) . . ? OH1 Te1 Te4 14.73(15) . . ? O13 Te1 Te4 62.38(14) 4_565 . ? Fe2 Te1 Te4 132.01(4) 2_646 . ? Fe1 Te1 Te4 87.59(4) 2 . ? OH3 Te1 Te4 113.50(13) 3_656 . ? O8 Te1 Te4 70.67(12) 2_645 . ? Fe1 Te1 Te4 131.92(3) 4_566 . ? Te1 Te1 Te4 122.23(3) 3_556 . ? Te2 Te1 Te4 82.96(2) 2_655 . ? Te2 Te1 Te4 78.03(2) 2_645 . ? Te3 Te1 Te4 53.78(4) 3_556 . ? OW1 Te1 Te4 54.28(11) . . ? Fe2 Te1 Te4 84.64(5) 4_465 . ? Te3 Te1 Te4 178.60(2) . . ? OW2 Te1 Te4 90.21(11) . . ? O5 Te1 Te4 38.9(2) . 4_566 ? O6 Te1 Te4 69.5(2) . 4_566 ? O7 Te1 Te4 69.4(2) . 4_566 ? O9 Te1 Te4 96.38(17) 2_645 4_566 ? O6 Te1 Te4 133.35(15) 3_556 4_566 ? Fe3 Te1 Te4 61.36(4) . 4_566 ? OH1 Te1 Te4 115.88(15) . 4_566 ? O13 Te1 Te4 128.30(13) 4_565 4_566 ? Fe2 Te1 Te4 64.61(5) 2_646 4_566 ? Fe1 Te1 Te4 94.22(4) 2 4_566 ? OH3 Te1 Te4 50.08(13) 3_656 4_566 ? O8 Te1 Te4 135.59(12) 2_645 4_566 ? Fe1 Te1 Te4 51.16(3) 4_566 4_566 ? Te1 Te1 Te4 110.57(3) 3_556 4_566 ? Te2 Te1 Te4 57.28(2) 2_655 4_566 ? Te2 Te1 Te4 109.02(3) 2_645 4_566 ? Te3 Te1 Te4 178.79(2) 3_556 4_566 ? OW1 Te1 Te4 79.41(12) . 4_566 ? Fe2 Te1 Te4 132.45(3) 4_465 4_566 ? Te3 Te1 Te4 51.79(3) . 4_566 ? OW2 Te1 Te4 44.05(10) . 4_566 ? Te4 Te1 Te4 127.19(4) . 4_566 ? O5 Te1 Te3 116.1(2) . 4_565 ? O6 Te1 Te3 142.9(2) . 4_565 ? O7 Te1 Te3 70.7(2) . 4_565 ? O9 Te1 Te3 116.53(17) 2_645 4_565 ? O6 Te1 Te3 65.89(16) 3_556 4_565 ? Fe3 Te1 Te3 127.81(4) . 4_565 ? OH1 Te1 Te3 45.93(15) . 4_565 ? O13 Te1 Te3 13.85(13) 4_565 4_565 ? Fe2 Te1 Te3 163.25(3) 2_646 4_565 ? Fe1 Te1 Te3 43.16(3) 2 4_565 ? OH3 Te1 Te3 161.03(12) 3_656 4_565 ? O8 Te1 Te3 92.87(12) 2_645 4_565 ? Fe1 Te1 Te3 93.18(4) 4_566 4_565 ? Te1 Te1 Te3 95.03(3) 3_556 4_565 ? Te2 Te1 Te3 74.67(2) 2_655 4_565 ? Te2 Te1 Te3 115.57(2) 2_645 4_565 ? Te3 Te1 Te3 49.36(3) 3_556 4_565 ? OW1 Te1 Te3 98.00(12) . 4_565 ? Fe2 Te1 Te3 42.86(3) 4_465 4_565 ? Te3 Te1 Te3 132.37(4) . 4_565 ? OW2 Te1 Te3 125.82(11) . 4_565 ? Te4 Te1 Te3 48.93(3) . 4_565 ? Te4 Te1 Te3 130.43(4) 4_566 4_565 ? O5 Te1 OW3 57.5(3) . 2_655 ? O6 Te1 OW3 151.3(3) . 2_655 ? O7 Te1 OW3 71.9(3) . 2_655 ? O9 Te1 OW3 98.6(2) 2_645 2_655 ? O6 Te1 OW3 123.59(19) 3_556 2_655 ? Fe3 Te1 OW3 78.60(12) . 2_655 ? OH1 Te1 OW3 38.1(2) . 2_655 ? O13 Te1 OW3 67.85(17) 4_565 2_655 ? Fe2 Te1 OW3 137.58(12) 2_646 2_655 ? Fe1 Te1 OW3 62.63(12) 2 2_655 ? OH3 Te1 OW3 106.51(17) 3_656 2_655 ? O8 Te1 OW3 122.55(18) 2_645 2_655 ? Fe1 Te1 OW3 84.21(13) 4_566 2_655 ? Te1 Te1 OW3 150.03(12) 3_556 2_655 ? Te2 Te1 OW3 30.34(13) 2_655 2_655 ? Te2 Te1 OW3 118.90(13) 2_645 2_655 ? Te3 Te1 OW3 98.69(13) 3_556 2_655 ? OW1 Te1 OW3 55.30(17) . 2_655 ? Fe2 Te1 OW3 98.26(12) 4_465 2_655 ? Te3 Te1 OW3 127.04(13) . 2_655 ? OW2 Te1 OW3 68.58(16) . 2_655 ? Te4 Te1 OW3 52.70(13) . 2_655 ? Te4 Te1 OW3 81.81(13) 4_566 2_655 ? Te3 Te1 OW3 58.58(12) 4_565 2_655 ? O5 Te1 OH2 71.4(3) . . ? O6 Te1 OH2 139.1(2) . . ? O7 Te1 OH2 123.0(2) . . ? O9 Te1 OH2 53.0(2) 2_645 . ? O6 Te1 OH2 116.16(18) 3_556 . ? Fe3 Te1 OH2 60.23(10) . . ? OH1 Te1 OH2 25.88(18) . . ? O13 Te1 OH2 83.73(16) 4_565 . ? Fe2 Te1 OH2 114.52(10) 2_646 . ? Fe1 Te1 OH2 103.98(10) 2 . ? OH3 Te1 OH2 91.79(16) 3_656 . ? O8 Te1 OH2 71.57(16) 2_645 . ? Fe1 Te1 OH2 136.60(10) 4_566 . ? Te1 Te1 OH2 135.97(10) 3_556 . ? Te2 Te1 OH2 81.09(10) 2_655 . ? Te2 Te1 OH2 67.96(10) 2_645 . ? Te3 Te1 OH2 70.86(10) 3_556 . ? OW1 Te1 OH2 32.71(15) . . ? Fe2 Te1 OH2 106.66(10) 4_465 . ? Te3 Te1 OH2 156.46(9) . . ? OW2 Te1 OH2 69.30(14) . . ? Te4 Te1 OH2 22.14(9) . . ? Te4 Te1 OH2 110.28(10) 4_566 . ? Te3 Te1 OH2 69.97(10) 4_565 . ? OW3 Te1 OH2 52.65(16) 2_655 . ? O5 Te1 OW3 89.9(3) . 2_645 ? O6 Te1 OW3 103.5(2) . 2_645 ? O7 Te1 OW3 160.1(2) . 2_645 ? O9 Te1 OW3 26.7(2) 2_645 2_645 ? O6 Te1 OW3 98.1(2) 3_556 2_645 ? Fe3 Te1 OW3 60.25(12) . 2_645 ? OH1 Te1 OW3 60.69(19) . 2_645 ? O13 Te1 OW3 101.35(17) 4_565 2_645 ? Fe2 Te1 OW3 84.66(11) 2_646 2_645 ? Fe1 Te1 OW3 133.84(11) 2 2_645 ? OH3 Te1 OW3 77.21(17) 3_656 2_645 ? O8 Te1 OW3 35.01(17) 2_645 2_645 ? Fe1 Te1 OW3 172.01(12) 4_566 2_645 ? Te1 Te1 OW3 103.05(12) 3_556 2_645 ? Te2 Te1 OW3 119.26(12) 2_655 2_645 ? Te2 Te1 OW3 29.92(10) 2_645 2_645 ? Te3 Te1 OW3 59.79(12) 3_556 2_645 ? OW1 Te1 OW3 51.63(17) . 2_645 ? Fe2 Te1 OW3 106.22(12) 4_465 2_645 ? Te3 Te1 OW3 130.98(10) . 2_645 ? OW2 Te1 OW3 79.37(16) . 2_645 ? Te4 Te1 OW3 48.27(10) . 2_645 ? Te4 Te1 OW3 121.32(12) 4_566 2_645 ? Te3 Te1 OW3 90.97(11) 4_565 2_645 ? OW3 Te1 OW3 92.16(17) 2_655 2_645 ? OH2 Te1 OW3 39.56(14) . 2_645 ? O5 Te1 Te2 123.9(2) . 4_466 ? O6 Te1 Te2 74.7(2) . 4_466 ? O7 Te1 Te2 37.3(2) . 4_466 ? O9 Te1 Te2 156.05(17) 2_645 4_466 ? O6 Te1 Te2 48.08(15) 3_556 4_466 ? Fe3 Te1 Te2 151.00(4) . 4_466 ? OH1 Te1 Te2 118.92(16) . 4_466 ? O13 Te1 Te2 60.87(13) 4_565 4_466 ? Fe2 Te1 Te2 100.47(3) 2_646 4_466 ? Fe1 Te1 Te2 43.78(3) 2 4_466 ? OH3 Te1 Te2 123.20(12) 3_656 4_466 ? O8 Te1 Te2 113.87(12) 2_645 4_466 ? Fe1 Te1 Te2 41.86(3) 4_566 4_466 ? Te1 Te1 Te2 49.76(4) 3_556 4_466 ? Te2 Te1 Te2 86.77(4) 2_655 4_466 ? Te2 Te1 Te2 133.560(18) 2_645 4_466 ? Te3 Te1 Te2 88.47(3) 3_556 4_466 ? OW1 Te1 Te2 158.74(13) . 4_466 ? Fe2 Te1 Te2 43.35(3) 4_465 4_466 ? Te3 Te1 Te2 58.11(2) . 4_466 ? OW2 Te1 Te2 133.94(10) . 4_466 ? Te4 Te1 Te2 123.23(3) . 4_466 ? Te4 Te1 Te2 90.34(3) 4_566 4_466 ? Te3 Te1 Te2 74.49(2) 4_565 4_466 ? OW3 Te1 Te2 105.09(12) 2_655 4_466 ? OH2 Te1 Te2 144.32(10) . 4_466 ? OW3 Te1 Te2 146.11(12) 2_645 4_466 ? O8 Te2 O9 93.4(3) . . ? O8 Te2 O10 96.7(3) . . ? O9 Te2 O10 92.7(3) . . ? O8 Te2 OW3 81.7(3) . . ? O9 Te2 OW3 84.6(3) . . ? O10 Te2 OW3 176.7(3) . . ? O8 Te2 O3 174.8(3) . 1_554 ? O9 Te2 O3 89.8(3) . 1_554 ? O10 Te2 O3 79.0(3) . 1_554 ? OW3 Te2 O3 102.7(3) . 1_554 ? O8 Te2 O7 63.6(3) . 2_645 ? O9 Te2 O7 142.1(3) . 2_645 ? O10 Te2 O7 63.0(3) . 2_645 ? OW3 Te2 O7 118.4(3) . 2_645 ? O3 Te2 O7 111.5(2) 1_554 2_645 ? O8 Te2 O5 108.8(3) . 2_645 ? O9 Te2 O5 157.7(3) . 2_645 ? O10 Te2 O5 82.9(3) . 2_645 ? OW3 Te2 O5 100.3(3) . 2_645 ? O3 Te2 O5 67.9(2) 1_554 2_645 ? O7 Te2 O5 53.4(2) 2_645 2_645 ? O8 Te2 Fe1 27.3(2) . 1_655 ? O9 Te2 Fe1 114.6(2) . 1_655 ? O10 Te2 Fe1 78.9(2) . 1_655 ? OW3 Te2 Fe1 100.5(2) . 1_655 ? O3 Te2 Fe1 147.65(17) 1_554 1_655 ? O7 Te2 Fe1 36.57(14) 2_645 1_655 ? O5 Te2 Fe1 86.07(14) 2_645 1_655 ? O8 Te2 Fe1 75.3(2) . 3_655 ? O9 Te2 Fe1 112.6(2) . 3_655 ? O10 Te2 Fe1 28.8(2) . 3_655 ? OW3 Te2 Fe1 151.7(2) . 3_655 ? O3 Te2 Fe1 99.66(18) 1_554 3_655 ? O7 Te2 Fe1 35.50(14) 2_645 3_655 ? O5 Te2 Fe1 72.47(15) 2_645 3_655 ? Fe1 Te2 Fe1 52.47(6) 1_655 3_655 ? O8 Te2 Fe2 103.8(3) . 1_554 ? O9 Te2 Fe2 66.5(2) . 1_554 ? O10 Te2 Fe2 27.0(2) . 1_554 ? OW3 Te2 Fe2 150.7(2) . 1_554 ? O3 Te2 Fe2 73.73(18) 1_554 1_554 ? O7 Te2 Fe2 89.01(14) 2_645 1_554 ? O5 Te2 Fe2 104.81(15) 2_645 1_554 ? Fe1 Te2 Fe2 95.97(5) 1_655 1_554 ? Fe1 Te2 Fe2 53.61(4) 3_655 1_554 ? O8 Te2 Fe3 116.1(3) . 2_655 ? O9 Te2 Fe3 23.0(2) . 2_655 ? O10 Te2 Fe3 86.4(2) . 2_655 ? OW3 Te2 Fe3 91.7(2) . 2_655 ? O3 Te2 Fe3 66.88(16) 1_554 2_655 ? O7 Te2 Fe3 148.44(14) 2_645 2_655 ? O5 Te2 Fe3 134.75(14) 2_645 2_655 ? Fe1 Te2 Fe3 134.50(4) 1_655 2_655 ? Fe1 Te2 Fe3 113.00(4) 3_655 2_655 ? Fe2 Te2 Fe3 59.81(4) 1_554 2_655 ? O8 Te2 O4 143.8(3) . 1_554 ? O9 Te2 O4 52.6(3) . 1_554 ? O10 Te2 O4 97.1(3) . 1_554 ? OW3 Te2 O4 82.7(3) . 1_554 ? O3 Te2 O4 40.7(2) 1_554 1_554 ? O7 Te2 O4 151.00(18) 2_645 1_554 ? O5 Te2 O4 106.11(18) 2_645 1_554 ? Fe1 Te2 O4 166.75(13) 1_655 1_554 ? Fe1 Te2 O4 125.53(13) 3_655 1_554 ? Fe2 Te2 O4 76.13(13) 1_554 1_554 ? Fe3 Te2 O4 32.25(12) 2_655 1_554 ? O8 Te2 OH3 122.7(3) . 4_565 ? O9 Te2 OH3 47.2(3) . 4_565 ? O10 Te2 OH3 56.0(2) . 4_565 ? OW3 Te2 OH3 122.6(3) . 4_565 ? O3 Te2 OH3 57.2(2) 1_554 4_565 ? O7 Te2 OH3 119.06(18) 2_645 4_565 ? O5 Te2 OH3 114.89(18) 2_645 4_565 ? Fe1 Te2 OH3 124.62(12) 1_655 4_565 ? Fe1 Te2 OH3 84.26(12) 3_655 4_565 ? Fe2 Te2 OH3 31.15(12) 1_554 4_565 ? Fe3 Te2 OH3 31.64(12) 2_655 4_565 ? O4 Te2 OH3 45.67(17) 1_554 4_565 ? O8 Te2 O7 46.3(3) . 4_665 ? O9 Te2 O7 96.3(3) . 4_665 ? O10 Te2 O7 50.4(2) . 4_665 ? OW3 Te2 O7 128.0(3) . 4_665 ? O3 Te2 O7 129.2(2) 1_554 4_665 ? O7 Te2 O7 45.8(2) 2_645 4_665 ? O5 Te2 O7 97.52(18) 2_645 4_665 ? Fe1 Te2 O7 32.91(11) 1_655 4_665 ? Fe1 Te2 O7 32.44(11) 3_655 4_665 ? Fe2 Te2 O7 63.24(11) 1_554 4_665 ? Fe3 Te2 O7 108.86(12) 2_655 4_665 ? O4 Te2 O7 137.04(17) 1_554 4_665 ? OH3 Te2 O7 91.93(16) 4_565 4_665 ? O8 Te2 O6 77.0(3) . 2_655 ? O9 Te2 O6 51.6(3) . 2_655 ? O10 Te2 O6 47.8(2) . 2_655 ? OW3 Te2 O6 129.0(2) . 2_655 ? O3 Te2 O6 101.9(2) 1_554 2_655 ? O7 Te2 O6 92.33(18) 2_645 2_655 ? O5 Te2 O6 130.36(19) 2_645 2_655 ? Fe1 Te2 O6 80.01(12) 1_655 2_655 ? Fe1 Te2 O6 61.27(12) 3_655 2_655 ? Fe2 Te2 O6 31.84(12) 1_554 2_655 ? Fe3 Te2 O6 59.01(12) 2_655 2_655 ? O4 Te2 O6 87.95(17) 1_554 2_655 ? OH3 Te2 O6 46.66(17) 4_565 2_655 ? O7 Te2 O6 50.03(16) 4_665 2_655 ? O8 Te2 Te1 80.9(3) . 2_645 ? O9 Te2 Te1 171.4(2) . 2_645 ? O10 Te2 Te1 81.7(2) . 2_645 ? OW3 Te2 Te1 100.8(2) . 2_645 ? O3 Te2 Te1 95.45(16) 1_554 2_645 ? O7 Te2 Te1 29.36(14) 2_645 2_645 ? O5 Te2 Te1 28.18(14) 2_645 2_645 ? Fe1 Te2 Te1 58.09(3) 1_655 2_645 ? Fe1 Te2 Te1 59.82(3) 3_655 2_645 ? Fe2 Te2 Te1 108.48(4) 1_554 2_645 ? Fe3 Te2 Te1 160.42(4) 2_655 2_645 ? O4 Te2 Te1 134.28(12) 1_554 2_645 ? OH3 Te2 Te1 131.55(12) 4_565 2_645 ? O7 Te2 Te1 75.13(12) 4_665 2_645 ? O6 Te2 Te1 120.47(12) 2_655 2_645 ? O8 Te2 Te1 68.9(3) . 2_655 ? O9 Te2 Te1 32.2(2) . 2_655 ? O10 Te2 Te1 75.7(2) . 2_655 ? OW3 Te2 Te1 101.1(2) . 2_655 ? O3 Te2 Te1 112.48(16) 1_554 2_655 ? O7 Te2 Te1 110.24(15) 2_645 2_655 ? O5 Te2 Te1 157.86(15) 2_645 2_655 ? Fe1 Te2 Te1 84.40(4) 1_655 2_655 ? Fe1 Te2 Te1 85.90(4) 3_655 2_655 ? Fe2 Te2 Te1 56.58(3) 1_554 2_655 ? Fe3 Te2 Te1 50.16(4) 2_655 2_655 ? O4 Te2 Te1 82.36(12) 1_554 2_655 ? OH3 Te2 Te1 56.58(12) 4_565 2_655 ? O7 Te2 Te1 64.40(11) 4_665 2_655 ? O6 Te2 Te1 27.90(11) 2_655 2_655 ? Te1 Te2 Te1 139.35(4) 2_645 2_655 ? O8 Te2 S 165.9(3) . 1_554 ? O9 Te2 S 72.8(2) . 1_554 ? O10 Te2 S 87.1(2) . 1_554 ? OW3 Te2 S 93.9(2) . 1_554 ? O3 Te2 S 18.41(17) 1_554 1_554 ? O7 Te2 S 129.53(14) 2_645 1_554 ? O5 Te2 S 85.19(14) 2_645 1_554 ? Fe1 Te2 S 164.30(5) 1_655 1_554 ? Fe1 Te2 S 112.26(7) 3_655 1_554 ? Fe2 Te2 S 73.77(6) 1_554 1_554 ? Fe3 Te2 S 50.34(5) 2_655 1_554 ? O4 Te2 S 22.27(13) 1_554 1_554 ? OH3 Te2 S 49.20(13) 4_565 1_554 ? O7 Te2 S 136.21(12) 4_665 1_554 ? O6 Te2 S 95.85(13) 2_655 1_554 ? Te1 Te2 S 113.17(5) 2_645 1_554 ? Te1 Te2 S 99.07(5) 2_655 1_554 ? O8 Te2 OH1 72.7(3) . 2_645 ? O9 Te2 OH1 136.1(3) . 2_645 ? O10 Te2 OH1 129.5(2) . 2_645 ? OW3 Te2 OH1 52.7(3) . 2_645 ? O3 Te2 OH1 107.7(2) 1_554 2_645 ? O7 Te2 OH1 68.39(19) 2_645 2_645 ? O5 Te2 OH1 56.83(19) 2_645 2_645 ? Fe1 Te2 OH1 70.02(13) 1_655 2_645 ? Fe1 Te2 OH1 103.85(13) 3_655 2_645 ? Fe2 Te2 OH1 156.48(13) 1_554 2_645 ? Fe3 Te2 OH1 143.15(13) 2_655 2_645 ? O4 Te2 OH1 120.86(18) 1_554 2_645 ? OH3 Te2 OH1 164.36(17) 4_565 2_645 ? O7 Te2 OH1 102.09(16) 4_665 2_645 ? O6 Te2 OH1 148.96(17) 2_655 2_645 ? Te1 Te2 OH1 48.20(13) 2_645 2_645 ? Te1 Te2 OH1 136.31(13) 2_655 2_645 ? S Te2 OH1 115.19(13) 1_554 2_645 ? O8 Te2 OW5 121.0(3) . . ? O9 Te2 OW5 70.8(3) . . ? O10 Te2 OW5 138.8(3) . . ? OW3 Te2 OW5 41.7(3) . . ? O3 Te2 OW5 64.0(2) 1_554 . ? O7 Te2 OW5 146.4(2) 2_645 . ? O5 Te2 OW5 98.4(2) 2_645 . ? Fe1 Te2 OW5 142.21(15) 1_655 . ? Fe1 Te2 OW5 163.58(16) 3_655 . ? Fe2 Te2 OW5 118.57(15) 1_554 . ? Fe3 Te2 OW5 63.45(16) 2_655 . ? O4 Te2 OW5 42.7(2) 1_554 . ? OH3 Te2 OW5 87.54(19) 4_565 . ? O7 Te2 OW5 162.68(19) 4_665 . ? O6 Te2 OW5 121.23(19) 2_655 . ? Te1 Te2 OW5 117.62(16) 2_645 . ? Te1 Te2 OW5 101.38(16) 2_655 . ? S Te2 OW5 52.37(16) 1_554 . ? OH1 Te2 OW5 81.15(19) 2_645 . ? O8 Te2 Te4 133.1(2) . 3_655 ? O9 Te2 Te4 107.0(2) . 3_655 ? O10 Te2 Te4 42.2(2) . 3_655 ? OW3 Te2 Te4 140.5(2) . 3_655 ? O3 Te2 Te4 41.74(18) 1_554 3_655 ? O7 Te2 Te4 75.21(14) 2_645 3_655 ? O5 Te2 Te4 55.98(14) 2_645 3_655 ? Fe1 Te2 Te4 107.79(4) 1_655 3_655 ? Fe1 Te2 Te4 58.00(3) 3_655 3_655 ? Fe2 Te2 Te4 52.22(4) 1_554 3_655 ? Fe3 Te2 Te4 87.70(4) 2_655 3_655 ? O4 Te2 Te4 76.01(13) 1_554 3_655 ? OH3 Te2 Te4 60.01(12) 4_565 3_655 ? O7 Te2 Te4 88.99(11) 4_665 3_655 ? O6 Te2 Te4 83.53(12) 2_655 3_655 ? Te1 Te2 Te4 73.05(2) 2_645 3_655 ? Te1 Te2 Te4 108.49(2) 2_655 3_655 ? S Te2 Te4 56.55(5) 1_554 3_655 ? OH1 Te2 Te4 112.75(13) 2_645 3_655 ? OW5 Te2 Te4 105.59(15) . 3_655 ? O8 Te2 OW1 106.6(3) . 2_655 ? O9 Te2 OW1 26.3(3) . 2_655 ? O10 Te2 OW1 112.9(2) . 2_655 ? OW3 Te2 OW1 65.1(3) . 2_655 ? O3 Te2 OW1 78.0(2) 1_554 2_655 ? O7 Te2 OW1 167.51(18) 2_645 2_655 ? O5 Te2 OW1 139.08(19) 2_645 2_655 ? Fe1 Te2 OW1 132.77(12) 1_655 2_655 ? Fe1 Te2 OW1 137.40(12) 3_655 2_655 ? Fe2 Te2 OW1 85.94(11) 1_554 2_655 ? Fe3 Te2 OW1 26.82(11) 2_655 2_655 ? O4 Te2 OW1 37.37(16) 1_554 2_655 ? OH3 Te2 OW1 58.39(16) 4_565 2_655 ? O7 Te2 OW1 121.97(17) 4_665 2_655 ? O6 Te2 OW1 77.41(17) 2_655 2_655 ? Te1 Te2 OW1 162.05(12) 2_645 2_655 ? Te1 Te2 OW1 57.60(12) 2_655 2_655 ? S Te2 OW1 59.63(12) 1_554 2_655 ? OH1 Te2 OW1 117.51(17) 2_645 2_655 ? OW5 Te2 OW1 44.5(2) . 2_655 ? Te4 Te2 OW1 110.15(11) 3_655 2_655 ? O8 Te2 Te3 19.7(2) . 4_665 ? O9 Te2 Te3 74.9(2) . 4_665 ? O10 Te2 Te3 103.9(2) . 4_665 ? OW3 Te2 Te3 73.6(2) . 4_665 ? O3 Te2 Te3 164.52(16) 1_554 4_665 ? O7 Te2 Te3 82.94(14) 2_645 4_665 ? O5 Te2 Te3 127.31(14) 2_645 4_665 ? Fe1 Te2 Te3 46.38(3) 1_655 4_665 ? Fe1 Te2 Te3 88.91(5) 3_655 4_665 ? Fe2 Te2 Te3 101.86(5) 1_554 4_665 ? Fe3 Te2 Te3 97.94(4) 2_655 4_665 ? O4 Te2 Te3 124.11(12) 1_554 4_665 ? OH3 Te2 Te3 111.46(12) 4_565 4_665 ? O7 Te2 Te3 56.92(11) 4_665 4_665 ? O6 Te2 Te3 70.88(12) 2_655 4_665 ? Te1 Te2 Te3 100.01(3) 2_645 4_665 ? Te1 Te2 Te3 54.92(2) 2_655 4_665 ? S Te2 Te3 146.30(5) 1_554 4_665 ? OH1 Te2 Te3 82.39(13) 2_645 4_665 ? OW5 Te2 Te3 107.34(16) . 4_665 ? Te4 Te2 Te3 145.51(3) 3_655 4_665 ? OW1 Te2 Te3 86.93(12) 2_655 4_665 ? O8 Te2 OW1 116.3(3) . 2_645 ? O9 Te2 OW1 132.7(3) . 2_645 ? O10 Te2 OW1 117.3(2) . 2_645 ? OW3 Te2 OW1 65.9(2) . 2_645 ? O3 Te2 OW1 63.8(2) 1_554 2_645 ? O7 Te2 OW1 85.23(18) 2_645 2_645 ? O5 Te2 OW1 37.79(18) 2_645 2_645 ? Fe1 Te2 OW1 106.92(11) 1_655 2_645 ? Fe1 Te2 OW1 110.18(11) 3_655 2_645 ? Fe2 Te2 OW1 131.22(10) 1_554 2_645 ? Fe3 Te2 OW1 118.02(12) 2_655 2_645 ? O4 Te2 OW1 86.17(16) 1_554 2_645 ? OH3 Te2 OW1 120.93(16) 4_565 2_645 ? O7 Te2 OW1 130.95(16) 4_665 2_645 ? O6 Te2 OW1 163.05(15) 2_655 2_645 ? Te1 Te2 OW1 55.88(11) 2_645 2_645 ? Te1 Te2 OW1 163.76(11) 2_655 2_645 ? S Te2 OW1 73.24(12) 1_554 2_645 ? OH1 Te2 OW1 43.86(16) 2_645 2_645 ? OW5 Te2 OW1 62.51(19) . 2_645 ? Te4 Te2 OW1 79.62(10) 3_655 2_645 ? OW1 Te2 OW1 106.65(18) 2_655 2_645 ? Te3 Te2 OW1 125.22(10) 4_665 2_645 ? O8 Te2 OW2 145.5(3) . 2_645 ? O9 Te2 OW2 120.5(3) . 2_645 ? O10 Te2 OW2 88.8(2) . 2_645 ? OW3 Te2 OW2 94.1(2) . 2_645 ? O3 Te2 OW2 32.48(19) 1_554 2_645 ? O7 Te2 OW2 89.39(17) 2_645 2_645 ? O5 Te2 OW2 37.96(17) 2_645 2_645 ? Fe1 Te2 OW2 123.95(11) 1_655 2_645 ? Fe1 Te2 OW2 95.55(11) 3_655 2_645 ? Fe2 Te2 OW2 96.45(11) 1_554 2_645 ? Fe3 Te2 OW2 98.23(11) 2_655 2_645 ? O4 Te2 OW2 68.16(16) 1_554 2_645 ? OH3 Te2 OW2 88.44(16) 4_565 2_645 ? O7 Te2 OW2 127.33(15) 4_665 2_645 ? O6 Te2 OW2 128.12(16) 2_655 2_645 ? Te1 Te2 OW2 66.12(10) 2_645 2_645 ? Te1 Te2 OW2 144.75(10) 2_655 2_645 ? S Te2 OW2 47.89(11) 1_554 2_645 ? OH1 Te2 OW2 77.59(16) 2_645 2_645 ? OW5 Te2 OW2 69.98(19) . 2_645 ? Te4 Te2 OW2 47.08(10) 3_655 2_645 ? OW1 Te2 OW2 102.51(16) 2_655 2_645 ? Te3 Te2 OW2 159.98(10) 4_665 2_645 ? OW1 Te2 OW2 35.26(14) 2_645 2_645 ? O8 Te2 OW4 132.0(3) . 3_655 ? O9 Te2 OW4 101.8(3) . 3_655 ? O10 Te2 OW4 127.2(2) . 3_655 ? OW3 Te2 OW4 55.3(2) . 3_655 ? O3 Te2 OW4 51.0(2) 1_554 3_655 ? O7 Te2 OW4 116.05(19) 2_645 3_655 ? O5 Te2 OW4 65.09(18) 2_645 3_655 ? Fe1 Te2 OW4 134.53(12) 1_655 3_655 ? Fe1 Te2 OW4 134.93(12) 3_655 3_655 ? Fe2 Te2 OW4 124.05(12) 1_554 3_655 ? Fe3 Te2 OW4 88.04(12) 2_655 3_655 ? O4 Te2 OW4 57.62(17) 1_554 3_655 ? OH3 Te2 OW4 99.89(16) 4_565 3_655 ? O7 Te2 OW4 161.90(16) 4_665 3_655 ? O6 Te2 OW4 145.45(16) 2_655 3_655 ? Te1 Te2 OW4 86.78(12) 2_645 3_655 ? Te1 Te2 OW4 133.69(12) 2_655 3_655 ? S Te2 OW4 51.30(12) 1_554 3_655 ? OH1 Te2 OW4 64.86(17) 2_645 3_655 ? OW5 Te2 OW4 33.3(2) . 3_655 ? Te4 Te2 OW4 85.17(11) 3_655 3_655 ? OW1 Te2 OW4 76.09(17) 2_655 3_655 ? Te3 Te2 OW4 128.81(11) 4_665 3_655 ? OW1 Te2 OW4 31.02(16) 2_645 3_655 ? OW2 Te2 OW4 40.41(15) 2_645 3_655 ? O8 Te2 OH1 67.0(3) . 2_655 ? O9 Te2 OH1 33.5(2) . 2_655 ? O10 Te2 OH1 114.8(2) . 2_655 ? OW3 Te2 OH1 62.0(2) . 2_655 ? O3 Te2 OH1 117.47(19) 1_554 2_655 ? O7 Te2 OH1 129.58(17) 2_645 2_655 ? O5 Te2 OH1 161.85(17) 2_645 2_655 ? Fe1 Te2 OH1 93.26(10) 1_655 2_655 ? Fe1 Te2 OH1 120.97(10) 3_655 2_655 ? Fe2 Te2 OH1 93.30(10) 1_554 2_655 ? Fe3 Te2 OH1 54.72(10) 2_655 2_655 ? O4 Te2 OH1 76.82(15) 1_554 2_655 ? OH3 Te2 OH1 80.28(15) 4_565 2_655 ? O7 Te2 OH1 91.56(15) 4_665 2_655 ? O6 Te2 OH1 67.05(15) 2_655 2_655 ? Te1 Te2 OH1 144.81(9) 2_645 2_655 ? Te1 Te2 OH1 39.16(9) 2_655 2_655 ? S Te2 OH1 99.08(11) 1_554 2_655 ? OH1 Te2 OH1 105.94(17) 2_645 2_655 ? OW5 Te2 OH1 71.28(19) . 2_655 ? Te4 Te2 OH1 140.28(9) 3_655 2_655 ? OW1 Te2 OH1 39.64(15) 2_655 2_655 ? Te3 Te2 OH1 47.31(10) 4_665 2_655 ? OW1 Te2 OH1 126.61(14) 2_645 2_655 ? OW2 Te2 OH1 139.99(14) 2_645 2_655 ? OW4 Te2 OH1 103.86(15) 3_655 2_655 ? O8 Te2 Te1 49.5(2) . 4_665 ? O9 Te2 Te1 78.2(2) . 4_665 ? O10 Te2 Te1 51.2(2) . 4_665 ? OW3 Te2 Te1 126.2(2) . 4_665 ? O3 Te2 Te1 127.47(18) 1_554 4_665 ? O7 Te2 Te1 63.91(14) 2_645 4_665 ? O5 Te2 Te1 114.41(15) 2_645 4_665 ? Fe1 Te2 Te1 46.44(4) 1_655 4_665 ? Fe1 Te2 Te1 44.08(4) 3_655 4_665 ? Fe2 Te2 Te1 54.46(3) 1_554 4_665 ? Fe3 Te2 Te1 91.43(5) 2_655 4_665 ? O4 Te2 Te1 121.56(13) 1_554 4_665 ? OH3 Te2 Te1 78.92(12) 4_565 4_665 ? O7 Te2 Te1 18.14(11) 4_665 4_665 ? O6 Te2 Te1 33.64(12) 2_655 4_665 ? Te1 Te2 Te1 93.23(4) 2_645 4_665 ? Te1 Te2 Te1 46.440(18) 2_655 4_665 ? S Te2 Te1 127.36(5) 1_554 4_665 ? OH1 Te2 Te1 116.26(12) 2_645 4_665 ? OW5 Te2 Te1 147.19(16) . 4_665 ? Te4 Te2 Te1 93.32(2) 3_655 4_665 ? OW1 Te2 Te1 104.04(13) 2_655 4_665 ? Te3 Te2 Te1 52.75(3) 4_665 4_665 ? OW1 Te2 Te1 149.09(11) 2_645 4_665 ? OW2 Te2 Te1 138.28(11) 2_645 4_665 ? OW4 Te2 Te1 178.42(11) 3_655 4_665 ? OH1 Te2 Te1 77.02(10) 2_655 4_665 ? O8 Te2 OH2 83.5(3) . 2_655 ? O9 Te2 OH2 47.3(2) . 2_655 ? O10 Te2 OH2 139.7(2) . 2_655 ? OW3 Te2 OH2 37.4(2) . 2_655 ? O3 Te2 OH2 101.7(2) 1_554 2_655 ? O7 Te2 OH2 144.13(16) 2_645 2_655 ? O5 Te2 OH2 135.32(18) 2_645 2_655 ? Fe1 Te2 OH2 110.45(10) 1_655 2_655 ? Fe1 Te2 OH2 150.21(10) 3_655 2_655 ? Fe2 Te2 OH2 113.81(10) 1_554 2_655 ? Fe3 Te2 OH2 58.53(10) 2_655 2_655 ? O4 Te2 OH2 64.60(16) 1_554 2_655 ? OH3 Te2 OH2 90.03(15) 4_565 2_655 ? O7 Te2 OH2 119.13(15) 4_665 2_655 ? O6 Te2 OH2 93.96(15) 2_655 2_655 ? Te1 Te2 OH2 137.27(10) 2_645 2_655 ? Te1 Te2 OH2 66.82(10) 2_655 2_655 ? S Te2 OH2 84.84(11) 1_554 2_655 ? OH1 Te2 OH2 89.18(16) 2_645 2_655 ? OW5 Te2 OH2 43.58(18) . 2_655 ? Te4 Te2 OH2 140.60(9) 3_655 2_655 ? OW1 Te2 OH2 32.49(14) 2_655 2_655 ? Te3 Te2 OH2 66.05(10) 4_665 2_655 ? OW1 Te2 OH2 97.84(14) 2_645 2_655 ? OW2 Te2 OH2 113.54(14) 2_645 2_655 ? OW4 Te2 OH2 74.85(15) 3_655 2_655 ? OH1 Te2 OH2 29.42(13) 2_655 2_655 ? Te1 Te2 OH2 106.13(10) 4_665 2_655 ? O8 Te2 Te3 31.6(3) . 3_656 ? O9 Te2 Te3 115.9(2) . 3_656 ? O10 Te2 Te3 115.4(2) . 3_656 ? OW3 Te2 Te3 64.4(2) . 3_656 ? O3 Te2 Te3 148.41(17) 1_554 3_656 ? O7 Te2 Te3 59.46(14) 2_645 3_656 ? O5 Te2 Te3 85.43(14) 2_645 3_656 ? Fe1 Te2 Te3 36.95(3) 1_655 3_656 ? Fe1 Te2 Te3 87.51(5) 3_655 3_656 ? Fe2 Te2 Te3 131.88(4) 1_554 3_656 ? Fe3 Te2 Te3 137.95(3) 2_655 3_656 ? O4 Te2 Te3 146.79(13) 1_554 3_656 ? OH3 Te2 Te3 154.30(12) 4_565 3_656 ? O7 Te2 Te3 68.88(11) 4_665 3_656 ? O6 Te2 Te3 108.44(12) 2_655 3_656 ? Te1 Te2 Te3 61.62(2) 2_645 3_656 ? Te1 Te2 Te3 98.62(3) 2_655 3_656 ? S Te2 Te3 154.27(5) 1_554 3_656 ? OH1 Te2 Te3 41.03(12) 2_645 3_656 ? OW5 Te2 Te3 105.66(15) . 3_656 ? Te4 Te2 Te3 133.03(3) 3_655 3_656 ? OW1 Te2 Te3 116.75(11) 2_655 3_656 ? Te3 Te2 Te3 43.93(3) 4_665 3_656 ? OW1 Te2 Te3 84.76(11) 2_645 3_656 ? OW2 Te2 Te3 116.63(10) 2_645 3_656 ? OW4 Te2 Te3 103.13(12) 3_655 3_656 ? OH1 Te2 Te3 83.23(10) 2_655 3_656 ? Te1 Te2 Te3 78.25(3) 4_665 3_656 ? OH2 Te2 Te3 85.12(10) 2_655 3_656 ? O8 Te2 OH2 150.3(3) . 3_655 ? O9 Te2 OH2 95.6(2) . 3_655 ? O10 Te2 OH2 54.7(2) . 3_655 ? OW3 Te2 OH2 127.3(2) . 3_655 ? O3 Te2 OH2 24.9(2) 1_554 3_655 ? O7 Te2 OH2 92.89(16) 2_645 3_655 ? O5 Te2 OH2 64.04(16) 2_645 3_655 ? Fe1 Te2 OH2 125.88(9) 1_655 3_655 ? Fe1 Te2 OH2 75.10(10) 3_655 3_655 ? Fe2 Te2 OH2 55.20(10) 1_554 3_655 ? Fe3 Te2 OH2 73.95(10) 2_655 3_655 ? O4 Te2 OH2 58.16(15) 1_554 3_655 ? OH3 Te2 OH2 51.28(15) 4_565 3_655 ? O7 Te2 OH2 104.46(14) 4_665 3_655 ? O6 Te2 OH2 86.64(15) 2_655 3_655 ? Te1 Te2 OH2 86.47(9) 2_645 3_655 ? Te1 Te2 OH2 106.42(9) 2_655 3_655 ? S Te2 OH2 38.44(10) 1_554 3_655 ? OH1 Te2 OH2 117.27(16) 2_645 3_655 ? OW5 Te2 OH2 88.68(18) . 3_655 ? Te4 Te2 OH2 18.13(9) 3_655 3_655 ? OW1 Te2 OH2 93.59(14) 2_655 3_655 ? Te3 Te2 OH2 156.87(9) 4_665 3_655 ? OW1 Te2 OH2 76.75(14) 2_645 3_655 ? OW2 Te2 OH2 41.51(14) 2_645 3_655 ? OW4 Te2 OH2 73.36(14) 3_655 3_655 ? OH1 Te2 OH2 128.65(13) 2_655 3_655 ? Te1 Te2 OH2 105.06(9) 4_665 3_655 ? OH2 Te2 OH2 122.70(15) 2_655 3_655 ? Te3 Te2 OH2 148.09(9) 3_656 3_655 ? O8 Te2 OW2 123.3(3) . 2_655 ? O9 Te2 OW2 30.3(2) . 2_655 ? O10 Te2 OW2 84.7(2) . 2_655 ? OW3 Te2 OW2 93.8(3) . 2_655 ? O3 Te2 OW2 59.60(18) 1_554 2_655 ? O7 Te2 OW2 147.71(17) 2_645 2_655 ? O5 Te2 OW2 127.45(16) 2_645 2_655 ? Fe1 Te2 OW2 140.43(9) 1_655 2_655 ? Fe1 Te2 OW2 112.46(10) 3_655 2_655 ? Fe2 Te2 OW2 58.85(10) 1_554 2_655 ? Fe3 Te2 OW2 7.30(8) 2_655 2_655 ? O4 Te2 OW2 26.43(15) 1_554 2_655 ? OH3 Te2 OW2 28.74(15) 4_565 2_655 ? O7 Te2 OW2 112.59(14) 4_665 2_655 ? O6 Te2 OW2 62.58(15) 2_655 2_655 ? Te1 Te2 OW2 153.56(9) 2_645 2_655 ? Te1 Te2 OW2 56.57(9) 2_655 2_655 ? S Te2 OW2 43.26(9) 1_554 2_655 ? OH1 Te2 OW2 142.86(15) 2_645 2_655 ? OW5 Te2 OW2 61.80(18) . 2_655 ? Te4 Te2 OW2 81.64(9) 3_655 2_655 ? OW1 Te2 OW2 30.45(14) 2_655 2_655 ? Te3 Te2 OW2 105.24(9) 4_665 2_655 ? OW1 Te2 OW2 112.61(14) 2_645 2_655 ? OW2 Te2 OW2 91.10(13) 2_645 2_655 ? OW4 Te2 OW2 83.53(15) 3_655 2_655 ? OH1 Te2 OW2 61.62(13) 2_655 2_655 ? Te1 Te2 OW2 95.80(9) 4_665 2_655 ? OH2 Te2 OW2 62.88(13) 2_655 2_655 ? Te3 Te2 OW2 144.69(9) 3_656 2_655 ? OH2 Te2 OW2 67.20(13) 3_655 2_655 ? O8 Te2 Te4 63.6(2) . 2_655 ? O9 Te2 Te4 51.0(2) . 2_655 ? O10 Te2 Te4 133.7(2) . 2_655 ? OW3 Te2 Te4 43.0(2) . 2_655 ? O3 Te2 Te4 121.50(17) 1_554 2_655 ? O7 Te2 Te4 126.15(14) 2_645 2_655 ? O5 Te2 Te4 141.83(15) 2_645 2_655 ? Fe1 Te2 Te4 90.81(4) 1_655 2_655 ? Fe1 Te2 Te4 132.48(3) 3_655 2_655 ? Fe2 Te2 Te4 113.35(5) 1_554 2_655 ? Fe3 Te2 Te4 69.09(4) 2_655 2_655 ? O4 Te2 Te4 82.82(13) 1_554 2_655 ? OH3 Te2 Te4 98.04(12) 4_565 2_655 ? O7 Te2 Te4 100.21(11) 4_665 2_655 ? O6 Te2 Te4 86.12(12) 2_655 2_655 ? Te1 Te2 Te4 129.91(3) 2_645 2_655 ? Te1 Te2 Te4 58.36(3) 2_655 2_655 ? S Te2 Te4 104.09(6) 1_554 2_655 ? OH1 Te2 Te4 86.39(13) 2_645 2_655 ? OW5 Te2 Te4 62.79(16) . 2_655 ? Te4 Te2 Te4 156.70(2) 3_655 2_655 ? OW1 Te2 Te4 46.98(11) 2_655 2_655 ? Te3 Te2 Te4 45.90(3) 4_665 2_655 ? OW1 Te2 Te4 108.85(10) 2_645 2_655 ? OW2 Te2 Te4 131.87(11) 2_645 2_655 ? OW4 Te2 Te4 91.72(11) 3_655 2_655 ? OH1 Te2 Te4 20.05(9) 2_655 2_655 ? Te1 Te2 Te4 89.49(3) 4_665 2_655 ? OH2 Te2 Te4 20.15(9) 2_655 2_655 ? Te3 Te2 Te4 70.15(4) 3_656 2_655 ? OH2 Te2 Te4 140.52(9) 3_655 2_655 ? OW2 Te2 Te4 75.06(9) 2_655 2_655 ? O8 Te2 OH3 119.8(3) . 4 ? O9 Te2 OH3 144.6(2) . 4 ? O10 Te2 OH3 72.9(2) . 4 ? OW3 Te2 OH3 110.4(2) . 4 ? O3 Te2 OH3 56.21(18) 1_554 4 ? O7 Te2 OH3 58.95(16) 2_645 4 ? O5 Te2 OH3 14.71(16) 2_645 4 ? Fe1 Te2 OH3 94.60(8) 1_655 4 ? Fe1 Te2 OH3 68.91(8) 3_655 4 ? Fe2 Te2 OH3 92.01(9) 1_554 4 ? Fe3 Te2 OH3 121.84(9) 2_655 4 ? O4 Te2 OH3 96.27(14) 1_554 4 ? OH3 Te2 OH3 100.19(15) 4_565 4 ? O7 Te2 OH3 98.40(14) 4_665 4 ? O6 Te2 OH3 120.48(14) 2_655 4 ? Te1 Te2 OH3 39.40(8) 2_645 4 ? Te1 Te2 OH3 148.11(8) 2_655 4 ? S Te2 OH3 74.32(9) 1_554 4 ? OH1 Te2 OH3 71.16(15) 2_645 4 ? OW5 Te2 OH3 98.73(18) . 4 ? Te4 Te2 OH3 41.59(8) 3_655 4 ? OW1 Te2 OH3 132.57(14) 2_655 4 ? Te3 Te2 OH3 139.27(8) 4_665 4 ? OW1 Te2 OH3 44.73(13) 2_645 4 ? OW2 Te2 OH3 30.62(13) 2_645 4 ? OW4 Te2 OH3 66.17(13) 3_655 4 ? OH1 Te2 OH3 170.00(12) 2_655 4 ? Te1 Te2 OH3 112.93(8) 4_665 4 ? OH2 Te2 OH3 140.81(12) 2_655 4 ? Te3 Te2 OH3 99.45(8) 3_656 4 ? OH2 Te2 OH3 49.49(12) 3_655 4 ? OW2 Te2 OH3 114.62(12) 2_655 4 ? Te4 Te2 OH3 153.37(8) 2_655 4 ? O8 Te2 Te4 73.3(3) . 2_645 ? O9 Te2 Te4 128.8(2) . 2_645 ? O10 Te2 Te4 137.1(2) . 2_645 ? OW3 Te2 Te4 45.2(2) . 2_645 ? O3 Te2 Te4 107.77(17) 1_554 2_645 ? O7 Te2 Te4 75.60(14) 2_645 2_645 ? O5 Te2 Te4 62.68(15) 2_645 2_645 ? Fe1 Te2 Te4 74.20(4) 1_655 2_645 ? Fe1 Te2 Te4 111.10(4) 3_655 2_645 ? Fe2 Te2 Te4 164.06(3) 1_554 2_645 ? Fe3 Te2 Te4 135.84(4) 2_655 2_645 ? O4 Te2 Te4 115.75(13) 1_554 2_645 ? OH3 Te2 Te4 161.17(12) 4_565 2_645 ? O7 Te2 Te4 106.88(11) 4_665 2_645 ? O6 Te2 Te4 150.31(12) 2_655 2_645 ? Te1 Te2 Te4 55.73(3) 2_645 2_645 ? Te1 Te2 Te4 132.64(3) 2_655 2_645 ? S Te2 Te4 112.85(5) 1_554 2_645 ? OH1 Te2 Te4 7.59(12) 2_645 2_645 ? OW5 Te2 Te4 74.80(15) . 2_645 ? Te4 Te2 Te4 118.10(4) 3_655 2_645 ? OW1 Te2 Te4 109.96(11) 2_655 2_645 ? Te3 Te2 Te4 80.65(4) 4_665 2_645 ? OW1 Te2 Te4 44.64(10) 2_645 2_645 ? OW2 Te2 Te4 79.54(10) 2_645 2_645 ? OW4 Te2 Te4 61.67(11) 3_655 2_645 ? OH1 Te2 Te4 99.66(10) 2_655 2_645 ? Te1 Te2 Te4 119.59(2) 4_665 2_645 ? OH2 Te2 Te4 81.71(10) 2_655 2_645 ? Te3 Te2 Te4 42.09(3) 3_656 2_645 ? OH2 Te2 Te4 120.46(10) 3_655 2_645 ? OW2 Te2 Te4 136.10(9) 2_655 2_645 ? Te4 Te2 Te4 79.85(4) 2_655 2_645 ? OH3 Te2 Te4 76.62(9) 4 2_645 ? O11 Te3 O12 94.0(3) . . ? O11 Te3 O13 94.0(3) . . ? O12 Te3 O13 94.9(3) . . ? O11 Te3 O12 79.4(3) . 2_546 ? O12 Te3 O12 160.03(14) . 2_546 ? O13 Te3 O12 67.1(3) . 2_546 ? O11 Te3 O6 68.7(3) . . ? O12 Te3 O6 82.6(3) . . ? O13 Te3 O6 162.2(3) . . ? O12 Te3 O6 111.8(2) 2_546 . ? O11 Te3 O8 143.7(3) . 4_466 ? O12 Te3 O8 65.2(3) . 4_466 ? O13 Te3 O8 116.2(3) . 4_466 ? O12 Te3 O8 129.5(2) 2_546 4_466 ? O6 Te3 O8 78.9(2) . 4_466 ? O11 Te3 O14 140.8(3) . 3_556 ? O12 Te3 O14 121.1(3) . 3_556 ? O13 Te3 O14 68.0(3) . 3_556 ? O12 Te3 O14 61.6(2) 2_546 3_556 ? O6 Te3 O14 128.2(2) . 3_556 ? O8 Te3 O14 73.2(2) 4_466 3_556 ? O11 Te3 O13 59.9(3) . 2_546 ? O12 Te3 O13 136.6(3) . 2_546 ? O13 Te3 O13 119.1(3) . 2_546 ? O12 Te3 O13 55.2(2) 2_546 2_546 ? O6 Te3 O13 56.6(2) . 2_546 ? O8 Te3 O13 114.5(2) 4_466 2_546 ? O14 Te3 O13 97.6(2) 3_556 2_546 ? O11 Te3 Fe2 33.2(2) . 2_646 ? O12 Te3 Fe2 99.5(2) . 2_646 ? O13 Te3 Fe2 125.7(2) . 2_646 ? O12 Te3 Fe2 85.39(15) 2_546 2_646 ? O6 Te3 Fe2 38.61(16) . 2_646 ? O8 Te3 Fe2 117.47(16) 4_466 2_646 ? O14 Te3 Fe2 137.08(15) 3_556 2_646 ? O13 Te3 Fe2 39.50(14) 2_546 2_646 ? O11 Te3 O11 144.1(2) . 2_556 ? O12 Te3 O11 68.1(3) . 2_556 ? O13 Te3 O11 58.9(3) . 2_556 ? O12 Te3 O11 106.6(2) 2_546 2_556 ? O6 Te3 O11 134.3(2) . 2_556 ? O8 Te3 O11 57.4(2) 4_466 2_556 ? O14 Te3 O11 54.6(2) 3_556 2_556 ? O13 Te3 O11 151.79(19) 2_546 2_556 ? Fe2 Te3 O11 167.56(13) 2_646 2_556 ? O11 Te3 Fe1 116.2(2) . 4_566 ? O12 Te3 Fe1 30.8(2) . 4_566 ? O13 Te3 Fe1 112.4(2) . 4_566 ? O12 Te3 Fe1 164.02(15) 2_546 4_566 ? O6 Te3 Fe1 73.78(16) . 4_566 ? O8 Te3 Fe1 35.18(15) 4_466 4_566 ? O14 Te3 Fe1 102.92(15) 3_556 4_566 ? O13 Te3 Fe1 128.48(14) 2_546 4_566 ? Fe2 Te3 Fe1 106.02(5) 2_646 4_566 ? O11 Te3 Fe1 62.97(13) 2_556 4_566 ? O11 Te3 Fe1 76.6(2) . 3_556 ? O12 Te3 Fe1 124.1(2) . 3_556 ? O13 Te3 Fe1 33.6(2) . 3_556 ? O12 Te3 Fe1 36.08(15) 2_546 3_556 ? O6 Te3 Fe1 137.69(16) . 3_556 ? O8 Te3 Fe1 139.62(16) 4_466 3_556 ? O14 Te3 Fe1 69.49(14) 3_556 3_556 ? O13 Te3 Fe1 85.44(13) 2_546 3_556 ? Fe2 Te3 Fe1 100.40(5) 2_646 3_556 ? O11 Te3 Fe1 87.98(13) 2_556 3_556 ? Fe1 Te3 Fe1 146.05(5) 4_566 3_556 ? O11 Te3 Fe2 129.5(2) . 1_455 ? O12 Te3 Fe2 97.9(2) . 1_455 ? O13 Te3 Fe2 36.3(2) . 1_455 ? O12 Te3 Fe2 72.96(15) 2_546 1_455 ? O6 Te3 Fe2 161.44(16) . 1_455 ? O8 Te3 Fe2 84.51(16) 4_466 1_455 ? O14 Te3 Fe2 36.88(15) 3_556 1_455 ? O13 Te3 Fe2 125.46(13) 2_546 1_455 ? Fe2 Te3 Fe2 156.30(4) 2_646 1_455 ? O11 Te3 Fe2 34.22(13) 2_556 1_455 ? Fe1 Te3 Fe2 97.16(5) 4_566 1_455 ? Fe1 Te3 Fe2 56.25(4) 3_556 1_455 ? O11 Te3 OH1 53.1(3) . 4_566 ? O12 Te3 OH1 55.9(3) . 4_566 ? O13 Te3 OH1 64.9(3) . 4_566 ? O12 Te3 OH1 106.4(2) 2_546 4_566 ? O6 Te3 OH1 99.8(2) . 4_566 ? O8 Te3 OH1 120.6(2) 4_466 4_566 ? O14 Te3 OH1 131.9(2) 3_556 4_566 ? O13 Te3 OH1 112.84(19) 2_546 4_566 ? Fe2 Te3 OH1 81.03(15) 2_646 4_566 ? O11 Te3 OH1 92.1(2) 2_556 4_566 ? Fe1 Te3 OH1 86.73(14) 4_566 4_566 ? Fe1 Te3 OH1 76.62(13) 3_556 4_566 ? Fe2 Te3 OH1 95.68(15) 1_455 4_566 ? O11 Te3 Te3 117.5(2) . 2_556 ? O12 Te3 Te3 45.3(2) . 2_556 ? O13 Te3 Te3 57.0(2) . 2_556 ? O12 Te3 Te3 121.69(15) 2_546 2_556 ? O6 Te3 Te3 126.50(15) . 2_556 ? O8 Te3 Te3 69.69(16) 4_466 2_556 ? O14 Te3 Te3 82.58(15) 3_556 2_556 ? O13 Te3 Te3 175.66(13) 2_546 2_556 ? Fe2 Te3 Te3 140.23(5) 2_646 2_556 ? O11 Te3 Te3 29.29(13) 2_556 2_556 ? Fe1 Te3 Te3 55.48(4) 4_566 2_556 ? Fe1 Te3 Te3 90.57(4) 3_556 2_556 ? Fe2 Te3 Te3 52.85(3) 1_455 2_556 ? OH1 Te3 Te3 64.41(14) 4_566 2_556 ? O11 Te3 Te3 58.0(2) . 2_546 ? O12 Te3 Te3 152.0(2) . 2_546 ? O13 Te3 Te3 89.0(2) . 2_546 ? O12 Te3 Te3 28.63(15) 2_546 2_546 ? O6 Te3 Te3 85.24(15) . 2_546 ? O8 Te3 Te3 136.45(16) 4_466 2_546 ? O14 Te3 Te3 86.11(15) 3_556 2_546 ? O13 Te3 Te3 30.02(13) 2_546 2_546 ? Fe2 Te3 Te3 56.91(4) 2_646 2_546 ? O11 Te3 Te3 135.20(13) 2_556 2_546 ? Fe1 Te3 Te3 158.48(4) 4_566 2_546 ? Fe1 Te3 Te3 55.42(3) 3_556 2_546 ? Fe2 Te3 Te3 101.51(4) 1_455 2_546 ? OH1 Te3 Te3 101.86(14) 4_566 2_546 ? Te3 Te3 Te3 145.95(5) 2_556 2_546 ? O11 Te3 OH1 109.8(3) . 3_556 ? O12 Te3 OH1 149.8(3) . 3_556 ? O13 Te3 OH1 101.5(3) . 3_556 ? O12 Te3 OH1 48.2(2) 2_546 3_556 ? O6 Te3 OH1 88.8(2) . 3_556 ? O8 Te3 OH1 84.7(2) 4_466 3_556 ? O14 Te3 OH1 46.55(19) 3_556 3_556 ? O13 Te3 OH1 52.72(18) 2_546 3_556 ? Fe2 Te3 OH1 91.32(13) 2_646 3_556 ? O11 Te3 OH1 99.15(19) 2_556 3_556 ? Fe1 Te3 OH1 119.00(13) 4_566 3_556 ? Fe1 Te3 OH1 80.72(13) 3_556 3_556 ? Fe2 Te3 OH1 81.50(13) 1_455 3_556 ? OH1 Te3 OH1 154.27(18) 4_566 3_556 ? Te3 Te3 OH1 128.30(13) 2_556 3_556 ? Te3 Te3 OH1 54.40(13) 2_546 3_556 ? O11 Te3 Te1 102.7(2) . 3_556 ? O12 Te3 Te1 110.0(2) . 3_556 ? O13 Te3 Te1 148.7(2) . 3_556 ? O12 Te3 Te1 89.94(15) 2_546 3_556 ? O6 Te3 Te1 45.62(16) . 3_556 ? O8 Te3 Te1 61.90(16) 4_466 3_556 ? O14 Te3 Te1 82.60(14) 3_556 3_556 ? O13 Te3 Te1 52.64(13) 2_546 3_556 ? Fe2 Te3 Te1 69.96(4) 2_646 3_556 ? O11 Te3 Te1 112.49(13) 2_556 3_556 ? Fe1 Te3 Te1 83.75(5) 4_566 3_556 ? Fe1 Te3 Te1 125.88(5) 3_556 3_556 ? Fe2 Te3 Te1 118.40(5) 1_455 3_556 ? OH1 Te3 Te1 145.45(14) 4_566 3_556 ? Te3 Te3 Te1 131.58(3) 2_556 3_556 ? Te3 Te3 Te1 78.02(4) 2_546 3_556 ? OH1 Te3 Te1 47.90(12) 3_556 3_556 ? O11 Te3 Te4 62.9(2) . 4_566 ? O12 Te3 Te4 32.5(2) . 4_566 ? O13 Te3 Te4 87.9(2) . 4_566 ? O12 Te3 Te4 133.18(15) 2_546 4_566 ? O6 Te3 Te4 80.54(16) . 4_566 ? O8 Te3 Te4 96.73(15) 4_466 4_566 ? O14 Te3 Te4 144.56(15) 3_556 4_566 ? O13 Te3 Te4 117.16(13) 2_546 4_566 ? Fe2 Te3 Te4 78.00(5) 2_646 4_566 ? O11 Te3 Te4 91.04(14) 2_556 4_566 ? Fe1 Te3 Te4 61.56(4) 4_566 4_566 ? Fe1 Te3 Te4 104.74(4) 3_556 4_566 ? Fe2 Te3 Te4 109.81(5) 1_455 4_566 ? OH1 Te3 Te4 28.20(13) 4_566 4_566 ? Te3 Te3 Te4 62.23(3) 2_556 4_566 ? Te3 Te3 Te4 120.38(4) 2_546 4_566 ? OH1 Te3 Te4 168.67(12) 3_556 4_566 ? Te1 Te3 Te4 123.26(3) 3_556 4_566 ? O11 Te3 Te4 118.7(2) . 3_556 ? O12 Te3 Te4 146.0(2) . 3_556 ? O13 Te3 Te4 75.0(2) . 3_556 ? O12 Te3 Te4 40.26(15) 2_546 3_556 ? O6 Te3 Te4 116.33(16) . 3_556 ? O8 Te3 Te4 89.86(15) 4_466 3_556 ? O14 Te3 Te4 25.04(15) 3_556 3_556 ? O13 Te3 Te4 73.59(13) 2_546 3_556 ? Fe2 Te3 Te4 112.86(5) 2_646 3_556 ? O11 Te3 Te4 79.20(13) 2_556 3_556 ? Fe1 Te3 Te4 123.77(4) 4_566 3_556 ? Fe1 Te3 Te4 61.27(3) 3_556 3_556 ? Fe2 Te3 Te4 54.97(4) 1_455 3_556 ? OH1 Te3 Te4 137.09(13) 4_566 3_556 ? Te3 Te3 Te4 105.97(3) 2_556 3_556 ? Te3 Te3 Te4 61.60(3) 2_546 3_556 ? OH1 Te3 Te4 27.58(12) 3_556 3_556 ? Te1 Te3 Te4 73.74(3) 3_556 3_556 ? Te4 Te3 Te4 162.88(2) 4_566 3_556 ? O11 Te3 OH3 29.9(2) . 3_656 ? O12 Te3 OH3 76.2(3) . 3_656 ? O13 Te3 OH3 118.8(2) . 3_656 ? O12 Te3 OH3 104.31(18) 2_546 3_656 ? O6 Te3 OH3 43.44(19) . 3_656 ? O8 Te3 OH3 113.81(18) 4_466 3_656 ? O14 Te3 OH3 161.98(18) 3_556 3_656 ? O13 Te3 OH3 64.40(17) 2_546 3_656 ? Fe2 Te3 OH3 24.94(11) 2_646 3_656 ? O11 Te3 OH3 143.43(17) 2_556 3_656 ? Fe1 Te3 OH3 89.97(11) 4_566 3_656 ? Fe1 Te3 OH3 106.42(10) 3_556 3_656 ? Fe2 Te3 OH3 154.71(11) 1_455 3_656 ? OH1 Te3 OH3 60.40(18) 4_566 3_656 ? Te3 Te3 OH3 115.31(11) 2_556 3_656 ? Te3 Te3 OH3 77.65(10) 2_546 3_656 ? OH1 Te3 OH3 116.04(16) 3_556 3_656 ? Te1 Te3 OH3 86.41(10) 3_556 3_656 ? Te4 Te3 OH3 53.12(11) 4_566 3_656 ? Te4 Te3 OH3 137.28(11) 3_556 3_656 ? O11 Te3 Te1 78.5(2) . . ? O12 Te3 Te1 65.8(2) . . ? O13 Te3 Te1 158.3(2) . . ? O12 Te3 Te1 129.92(15) 2_546 . ? O6 Te3 Te1 18.37(15) . . ? O8 Te3 Te1 66.00(16) 4_466 . ? O14 Te3 Te1 129.54(14) 3_556 . ? O13 Te3 Te1 74.87(13) 2_546 . ? Fe2 Te3 Te1 53.42(3) 2_646 . ? O11 Te3 Te1 117.47(13) 2_556 . ? Fe1 Te3 Te1 55.60(4) 4_566 . ? Fe1 Te3 Te1 153.73(4) 3_556 . ? Fe2 Te3 Te1 150.03(3) 1_455 . ? OH1 Te3 Te1 94.94(14) 4_566 . ? Te3 Te3 Te1 108.38(3) 2_556 . ? Te3 Te3 Te1 103.59(3) 2_546 . ? OH1 Te3 Te1 100.13(12) 3_556 . ? Te1 Te3 Te1 52.75(4) 3_556 . ? Te4 Te3 Te1 70.52(3) 4_566 . ? Te4 Te3 Te1 126.48(3) 3_556 . ? OH3 Te3 Te1 49.36(10) 3_656 . ? O11 Te3 OW3 172.6(3) . 4_466 ? O12 Te3 OW3 92.7(3) . 4_466 ? O13 Te3 OW3 88.6(3) . 4_466 ? O12 Te3 OW3 95.20(19) 2_546 4_466 ? O6 Te3 OW3 109.1(2) . 4_466 ? O8 Te3 OW3 38.57(19) 4_466 4_466 ? O14 Te3 OW3 34.88(18) 3_556 4_466 ? O13 Te3 OW3 112.83(19) 2_546 4_466 ? Fe2 Te3 OW3 141.93(14) 2_646 4_466 ? O11 Te3 OW3 42.32(19) 2_556 4_466 ? Fe1 Te3 OW3 68.90(12) 4_566 4_466 ? Fe1 Te3 OW3 102.12(12) 3_556 4_466 ? Fe2 Te3 OW3 52.34(14) 1_455 4_466 ? OH1 Te3 OW3 134.0(2) 4_566 4_466 ? Te3 Te3 OW3 69.69(14) 2_556 4_466 ? Te3 Te3 OW3 115.14(13) 2_546 4_466 ? OH1 Te3 OW3 62.84(18) 3_556 4_466 ? Te1 Te3 OW3 71.97(14) 3_556 4_466 ? Te4 Te3 OW3 124.28(13) 4_566 4_466 ? Te4 Te3 OW3 55.33(12) 3_556 4_466 ? OH3 Te3 OW3 150.85(16) 3_656 4_466 ? Te1 Te3 OW3 101.49(13) . 4_466 ? O11 Te3 Te2 147.3(2) . 4_466 ? O12 Te3 Te2 77.4(2) . 4_466 ? O13 Te3 Te2 118.0(2) . 4_466 ? O12 Te3 Te2 117.90(15) 2_546 4_466 ? O6 Te3 Te2 78.82(16) . 4_466 ? O8 Te3 Te2 12.26(15) 4_466 4_466 ? O14 Te3 Te2 65.11(14) 3_556 4_466 ? O13 Te3 Te2 105.41(13) 2_546 4_466 ? Fe2 Te3 Te2 116.28(4) 2_646 4_466 ? O11 Te3 Te2 61.45(13) 2_556 4_466 ? Fe1 Te3 Te2 47.16(4) 4_566 4_466 ? Fe1 Te3 Te2 134.26(4) 3_556 4_466 ? Fe2 Te3 Te2 83.18(5) 1_455 4_466 ? OH1 Te3 Te2 132.84(14) 4_566 4_466 ? Te3 Te3 Te2 78.63(3) 2_556 4_466 ? Te3 Te3 Te2 124.68(3) 2_546 4_466 ? OH1 Te3 Te2 72.48(13) 3_556 4_466 ? Te1 Te3 Te2 53.36(3) 3_556 4_466 ? Te4 Te3 Te2 108.69(3) 4_566 4_466 ? Te4 Te3 Te2 79.10(4) 3_556 4_466 ? OH3 Te3 Te2 118.46(10) 3_656 4_466 ? Te1 Te3 Te2 69.14(4) . 4_466 ? OW3 Te3 Te2 32.45(12) 4_466 4_466 ? O11 Te3 OW3 16.3(2) . 3_656 ? O12 Te3 OW3 90.6(3) . 3_656 ? O13 Te3 OW3 78.4(2) . 3_656 ? O12 Te3 OW3 77.8(2) 2_546 3_656 ? O6 Te3 OW3 84.0(2) . 3_656 ? O8 Te3 OW3 151.7(2) 4_466 3_656 ? O14 Te3 OW3 134.58(19) 3_556 3_656 ? O13 Te3 OW3 72.57(17) 2_546 3_656 ? Fe2 Te3 OW3 49.57(11) 2_646 3_656 ? O11 Te3 OW3 128.61(17) 2_556 3_656 ? Fe1 Te3 OW3 118.05(14) 4_566 3_656 ? Fe1 Te3 OW3 65.64(13) 3_556 3_656 ? Fe2 Te3 OW3 114.50(12) 1_455 3_656 ? OH1 Te3 OW3 40.94(18) 4_566 3_656 ? Te3 Te3 OW3 104.20(12) 2_556 3_656 ? Te3 Te3 OW3 63.04(12) 2_546 3_656 ? OH1 Te3 OW3 117.39(18) 3_556 3_656 ? Te1 Te3 OW3 118.76(11) 3_556 3_656 ? Te4 Te3 OW3 58.07(13) 4_566 3_656 ? Te4 Te3 OW3 117.99(13) 3_556 3_656 ? OH3 Te3 OW3 42.24(15) 3_656 3_656 ? Te1 Te3 OW3 91.55(12) . 3_656 ? OW3 Te3 OW3 166.77(6) 4_466 3_656 ? Te2 Te3 OW3 160.10(12) 4_466 3_656 ? O11 Te3 Te1 78.2(2) . 4_566 ? O12 Te3 Te1 77.9(2) . 4_566 ? O13 Te3 Te1 24.2(2) . 4_566 ? O12 Te3 Te1 82.26(15) 2_546 4_566 ? O6 Te3 Te1 140.10(16) . 4_566 ? O8 Te3 Te1 121.88(16) 4_466 4_566 ? O14 Te3 Te1 91.62(14) 3_556 4_566 ? O13 Te3 Te1 123.05(13) 2_546 4_566 ? Fe2 Te3 Te1 111.46(4) 2_646 4_566 ? O11 Te3 Te1 67.97(13) 2_556 4_566 ? Fe1 Te3 Te1 103.18(5) 4_566 4_566 ? Fe1 Te3 Te1 46.22(4) 3_556 4_566 ? Fe2 Te3 Te1 57.05(4) 1_455 4_566 ? OH1 Te3 Te1 40.76(13) 4_566 4_566 ? Te3 Te3 Te1 52.62(2) 2_556 4_566 ? Te3 Te3 Te1 95.95(4) 2_546 4_566 ? OH1 Te3 Te1 124.07(12) 3_556 4_566 ? Te1 Te3 Te1 171.87(2) 3_556 4_566 ? Te4 Te3 Te1 64.47(2) 4_566 4_566 ? Te4 Te3 Te1 98.64(3) 3_556 4_566 ? OH3 Te3 Te1 97.72(10) 3_656 4_566 ? Te1 Te3 Te1 134.84(4) . 4_566 ? OW3 Te3 Te1 106.31(14) 4_466 4_566 ? Te2 Te3 Te1 128.92(3) 4_466 4_566 ? OW3 Te3 Te1 61.91(11) 3_656 4_566 ? O11 Te3 OH3 141.5(2) . 4_466 ? O12 Te3 OH3 98.5(3) . 4_466 ? O13 Te3 OH3 48.9(2) . 4_466 ? O12 Te3 OH3 76.46(17) 2_546 4_466 ? O6 Te3 OH3 148.84(18) . 4_466 ? O8 Te3 OH3 73.63(18) 4_466 4_466 ? O14 Te3 OH3 28.10(17) 3_556 4_466 ? O13 Te3 OH3 123.72(16) 2_546 4_466 ? Fe2 Te3 OH3 161.63(9) 2_646 4_466 ? O11 Te3 OH3 30.76(15) 2_556 4_466 ? Fe1 Te3 OH3 91.29(9) 4_566 4_466 ? Fe1 Te3 OH3 66.24(9) 3_556 4_466 ? Fe2 Te3 OH3 12.62(9) 1_455 4_466 ? OH1 Te3 OH3 106.57(17) 4_566 4_466 ? Te3 Te3 OH3 55.69(9) 2_556 4_466 ? Te3 Te3 OH3 104.80(9) 2_546 4_466 ? OH1 Te3 OH3 74.56(15) 3_556 4_466 ? Te1 Te3 OH3 106.78(9) 3_556 4_466 ? Te4 Te3 OH3 116.67(10) 4_566 4_466 ? Te4 Te3 OH3 50.28(9) 3_556 4_466 ? OH3 Te3 OH3 166.81(8) 3_656 4_466 ? Te1 Te3 OH3 139.61(9) . 4_466 ? OW3 Te3 OH3 39.83(16) 4_466 4_466 ? Te2 Te3 OH3 71.18(9) 4_466 4_466 ? OW3 Te3 OH3 126.97(14) 3_656 4_466 ? Te1 Te3 OH3 69.22(9) 4_566 4_466 ? O11 Te3 OH2 133.6(2) . 3_556 ? O12 Te3 OH2 132.4(3) . 3_556 ? O13 Te3 OH2 85.2(2) . 3_556 ? O12 Te3 OH2 57.56(18) 2_546 3_556 ? O6 Te3 OH2 109.52(18) . 3_556 ? O8 Te3 OH2 72.18(18) 4_466 3_556 ? O14 Te3 OH2 20.02(17) 3_556 3_556 ? O13 Te3 OH2 80.12(16) 2_546 3_556 ? Fe2 Te3 OH2 118.88(10) 2_646 3_556 ? O11 Te3 OH2 71.68(16) 2_556 3_556 ? Fe1 Te3 OH2 106.59(10) 4_566 3_556 ? Fe1 Te3 OH2 77.79(9) 3_556 3_556 ? Fe2 Te3 OH2 56.77(10) 1_455 3_556 ? OH1 Te3 OH2 150.08(16) 4_566 3_556 ? Te3 Te3 OH2 100.74(10) 2_556 3_556 ? Te3 Te3 OH2 75.58(10) 2_546 3_556 ? OH1 Te3 OH2 27.57(15) 3_556 3_556 ? Te1 Te3 OH2 64.06(9) 3_556 3_556 ? Te4 Te3 OH2 162.55(10) 4_566 3_556 ? Te4 Te3 OH2 17.79(9) 3_556 3_556 ? OH3 Te3 OH2 143.45(14) 3_656 3_556 ? Te1 Te3 OH2 114.77(9) . 3_556 ? OW3 Te3 OH2 39.64(15) 4_466 3_556 ? Te2 Te3 OH2 61.30(9) 4_466 3_556 ? OW3 Te3 OH2 135.36(16) 3_656 3_556 ? Te1 Te3 OH2 109.35(9) 4_566 3_556 ? OH3 Te3 OH2 47.96(13) 4_466 3_556 ? O11 Te3 Te2 42.2(2) . 3_656 ? O12 Te3 Te2 103.9(2) . 3_656 ? O13 Te3 Te2 52.7(2) . 3_656 ? O12 Te3 Te2 58.80(15) 2_546 3_656 ? O6 Te3 Te2 110.62(16) . 3_656 ? O8 Te3 Te2 165.22(16) 4_466 3_656 ? O14 Te3 Te2 106.96(14) 3_556 3_656 ? O13 Te3 Te2 80.21(13) 2_546 3_656 ? Fe2 Te3 Te2 72.94(4) 2_646 3_656 ? O11 Te3 Te2 110.07(13) 2_556 3_656 ? Fe1 Te3 Te2 134.71(4) 4_566 3_656 ? Fe1 Te3 Te2 37.48(4) 3_556 3_656 ? Fe2 Te3 Te2 87.35(5) 1_455 3_656 ? OH1 Te3 Te2 48.02(13) 4_566 3_656 ? Te3 Te3 Te2 95.57(4) 2_556 3_656 ? Te3 Te3 Te2 57.45(2) 2_546 3_656 ? OH1 Te3 Te2 106.25(13) 3_556 3_656 ? Te1 Te3 Te2 132.85(4) 3_556 3_656 ? Te4 Te3 Te2 74.47(3) 4_566 3_656 ? Te4 Te3 Te2 95.54(3) 3_556 3_656 ? OH3 Te3 Te2 70.73(10) 3_656 3_656 ? Te1 Te3 Te2 120.09(4) . 3_656 ? OW3 Te3 Te2 138.42(12) 4_466 3_656 ? Te2 Te3 Te2 170.537(17) 4_466 3_656 ? OW3 Te3 Te2 28.65(12) 3_656 3_656 ? Te1 Te3 Te2 43.71(3) 4_566 3_656 ? OH3 Te3 Te2 99.38(9) 4_466 3_656 ? OH2 Te3 Te2 113.17(9) 3_556 3_656 ? O14 Te4 OH1 98.9(4) . . ? O14 Te4 OH2 92.7(3) . . ? OH1 Te4 OH2 85.3(4) . . ? O14 Te4 O12 80.5(3) . 4_565 ? OH1 Te4 O12 78.5(3) . 4_565 ? OH2 Te4 O12 161.2(3) . 4_565 ? O14 Te4 O3 93.9(3) . 3_656 ? OH1 Te4 O3 157.8(3) . 3_656 ? OH2 Te4 O3 76.0(3) . 3_656 ? O12 Te4 O3 121.8(2) 4_565 3_656 ? O14 Te4 O10 62.3(3) . 3_655 ? OH1 Te4 O10 136.9(3) . 3_655 ? OH2 Te4 O10 130.7(3) . 3_655 ? O12 Te4 O10 61.1(2) 4_565 3_655 ? O3 Te4 O10 65.3(2) 3_656 3_655 ? O14 Te4 Fe2 28.3(2) . 3_656 ? OH1 Te4 Fe2 122.5(3) . 3_656 ? OH2 Te4 Fe2 108.4(3) . 3_656 ? O12 Te4 Fe2 73.30(17) 4_565 3_656 ? O3 Te4 Fe2 75.64(18) 3_656 3_656 ? O10 Te4 Fe2 34.65(14) 3_655 3_656 ? O14 Te4 OW2 141.5(3) . 4_565 ? OH1 Te4 OW2 116.6(3) . 4_565 ? OH2 Te4 OW2 76.6(3) . 4_565 ? O12 Te4 OW2 119.3(2) 4_565 4_565 ? O3 Te4 OW2 47.7(2) 3_656 4_565 ? O10 Te4 OW2 96.86(19) 3_655 4_565 ? Fe2 Te4 OW2 120.92(14) 3_656 4_565 ? O14 Te4 O5 122.9(3) . 4_565 ? OH1 Te4 O5 123.5(3) . 4_565 ? OH2 Te4 O5 124.1(3) . 4_565 ? O12 Te4 O5 73.6(2) 4_565 4_565 ? O3 Te4 O5 61.4(2) 3_656 4_565 ? O10 Te4 O5 60.58(18) 3_655 4_565 ? Fe2 Te4 O5 94.84(12) 3_656 4_565 ? OW2 Te4 O5 48.27(17) 4_565 4_565 ? O14 Te4 O11 123.1(3) . 4_565 ? OH1 Te4 O11 51.8(3) . 4_565 ? OH2 Te4 O11 124.8(3) . 4_565 ? O12 Te4 O11 49.7(2) 4_565 4_565 ? O3 Te4 O11 132.5(2) 3_656 4_565 ? O10 Te4 O11 104.00(18) 3_655 4_565 ? Fe2 Te4 O11 122.93(13) 3_656 4_565 ? OW2 Te4 O11 92.13(17) 4_565 4_565 ? O5 Te4 O11 72.94(17) 4_565 4_565 ? O14 Te4 O2 73.7(3) . 3_656 ? OH1 Te4 O2 127.6(3) . 3_656 ? OH2 Te4 O2 44.8(3) . 3_656 ? O12 Te4 O2 145.4(2) 4_565 3_656 ? O3 Te4 O2 40.1(2) 3_656 3_656 ? O10 Te4 O2 86.25(19) 3_655 3_656 ? Fe2 Te4 O2 73.02(15) 3_656 3_656 ? OW2 Te4 O2 72.87(19) 4_565 3_656 ? O5 Te4 O2 101.42(18) 4_565 3_656 ? O11 Te4 O2 162.93(19) 4_565 3_656 ? O14 Te4 OH3 161.9(3) . 2_655 ? OH1 Te4 OH3 83.7(3) . 2_655 ? OH2 Te4 OH3 105.4(3) . 2_655 ? O12 Te4 OH3 82.4(2) 4_565 2_655 ? O3 Te4 OH3 89.8(2) 3_656 2_655 ? O10 Te4 OH3 103.74(18) 3_655 2_655 ? Fe2 Te4 OH3 138.27(12) 3_656 2_655 ? OW2 Te4 OH3 46.29(17) 4_565 2_655 ? O5 Te4 OH3 45.07(16) 4_565 2_655 ? O11 Te4 OH3 45.87(16) 4_565 2_655 ? O2 Te4 OH3 118.88(19) 3_656 2_655 ? O14 Te4 Fe1 69.4(2) . . ? OH1 Te4 Fe1 106.4(3) . . ? OH2 Te4 Fe1 159.7(3) . . ? O12 Te4 Fe1 28.86(16) 4_565 . ? O3 Te4 Fe1 95.03(17) 3_656 . ? O10 Te4 Fe1 32.22(13) 3_655 . ? Fe2 Te4 Fe1 51.31(4) 3_656 . ? OW2 Te4 Fe1 110.98(13) 4_565 . ? O5 Te4 Fe1 63.35(13) 4_565 . ? O11 Te4 Fe1 74.71(12) 4_565 . ? O2 Te4 Fe1 117.80(14) 3_656 . ? OH3 Te4 Fe1 92.56(12) 2_655 . ? O14 Te4 S 85.9(2) . 3_656 ? OH1 Te4 S 145.6(3) . 3_656 ? OH2 Te4 S 60.4(2) . 3_656 ? O12 Te4 S 135.67(16) 4_565 3_656 ? O3 Te4 S 17.98(17) 3_656 3_656 ? O10 Te4 S 75.20(14) 3_655 3_656 ? Fe2 Te4 S 74.91(6) 3_656 3_656 ? OW2 Te4 S 56.51(14) 4_565 3_656 ? O5 Te4 S 79.20(13) 4_565 3_656 ? O11 Te4 S 147.66(12) 4_565 3_656 ? O2 Te4 S 22.23(14) 3_656 3_656 ? OH3 Te4 S 102.22(12) 2_655 3_656 ? Fe1 Te4 S 107.10(6) . 3_656 ? O14 Te4 OH3 40.4(3) . 2_645 ? OH1 Te4 OH3 136.6(3) . 2_645 ? OH2 Te4 OH3 83.5(3) . 2_645 ? O12 Te4 OH3 101.7(2) 4_565 2_645 ? O3 Te4 OH3 53.6(2) 3_656 2_645 ? O10 Te4 OH3 49.34(17) 3_655 2_645 ? Fe2 Te4 OH3 29.12(11) 3_656 2_645 ? OW2 Te4 OH3 101.22(17) 4_565 2_645 ? O5 Te4 OH3 97.03(16) 4_565 2_645 ? O11 Te4 OH3 151.07(16) 4_565 2_645 ? O2 Te4 OH3 44.04(18) 3_656 2_645 ? OH3 Te4 OH3 139.7(2) 2_655 2_645 ? Fe1 Te4 OH3 76.56(11) . 2_645 ? S Te4 OH3 47.67(12) 3_656 2_645 ? O14 Te4 Te3 97.9(2) . 4_565 ? OH1 Te4 Te3 61.2(3) . 4_565 ? OH2 Te4 Te3 146.0(2) . 4_565 ? O12 Te4 Te3 22.77(16) 4_565 4_565 ? O3 Te4 Te3 134.84(16) 3_656 4_565 ? O10 Te4 Te3 82.31(14) 3_655 4_565 ? Fe2 Te4 Te3 95.56(5) 3_656 4_565 ? OW2 Te4 Te3 111.66(13) 4_565 4_565 ? O5 Te4 Te3 75.73(12) 4_565 4_565 ? O11 Te4 Te3 27.55(12) 4_565 4_565 ? O2 Te4 Te3 168.10(14) 3_656 4_565 ? OH3 Te4 Te3 67.44(12) 2_655 4_565 ? Fe1 Te4 Te3 50.47(4) . 4_565 ? S Te4 Te3 152.30(5) 3_656 4_565 ? OH3 Te4 Te3 124.34(11) 2_645 4_565 ? O14 Te4 Te3 42.6(2) . 3_556 ? OH1 Te4 Te3 72.2(3) . 3_556 ? OH2 Te4 Te3 121.8(3) . 3_556 ? O12 Te4 Te3 43.64(17) 4_565 3_556 ? O3 Te4 Te3 128.08(18) 3_656 3_556 ? O10 Te4 Te3 68.49(13) 3_655 3_556 ? Fe2 Te4 Te3 52.75(3) 3_656 3_556 ? OW2 Te4 Te3 161.09(12) 4_565 3_556 ? O5 Te4 Te3 112.83(12) 4_565 3_556 ? O11 Te4 Te3 80.52(12) 4_565 3_556 ? O2 Te4 Te3 116.25(15) 3_656 3_556 ? OH3 Te4 Te3 123.56(12) 2_655 3_556 ? Fe1 Te4 Te3 50.33(4) . 3_556 ? S Te4 Te3 126.34(6) 3_656 3_556 ? OH3 Te4 Te3 78.68(11) 2_645 3_556 ? Te3 Te4 Te3 56.17(4) 4_565 3_556 ? O14 Te4 OW3 35.6(3) . 2_645 ? OH1 Te4 OW3 90.2(3) . 2_645 ? OH2 Te4 OW3 57.5(3) . 2_645 ? O12 Te4 OW3 112.5(2) 4_565 2_645 ? O3 Te4 OW3 89.7(2) 3_656 2_645 ? O10 Te4 OW3 92.0(2) 3_655 2_645 ? Fe2 Te4 OW3 58.16(16) 3_656 2_645 ? OW2 Te4 OW3 124.84(19) 4_565 2_645 ? O5 Te4 OW3 145.81(19) 4_565 2_645 ? O11 Te4 OW3 137.84(19) 4_565 2_645 ? O2 Te4 OW3 53.5(2) 3_656 2_645 ? OH3 Te4 OW3 162.43(19) 2_655 2_645 ? Fe1 Te4 OW3 104.98(15) . 2_645 ? S Te4 OW3 73.91(15) 3_656 2_645 ? OH3 Te4 OW3 49.01(19) 2_645 2_645 ? Te3 Te4 OW3 123.47(14) 4_565 2_645 ? Te3 Te4 OW3 69.41(14) 3_556 2_645 ? O14 Te4 OW1 91.5(3) . . ? OH1 Te4 OW1 51.7(3) . . ? OH2 Te4 OW1 34.3(3) . . ? O12 Te4 OW1 127.7(2) 4_565 . ? O3 Te4 OW1 110.2(2) 3_656 . ? O10 Te4 OW1 151.97(19) 3_655 . ? Fe2 Te4 OW1 117.83(13) 3_656 . ? OW2 Te4 OW1 98.75(17) 4_565 . ? O5 Te4 OW1 144.03(17) 4_565 . ? O11 Te4 OW1 98.54(17) 4_565 . ? O2 Te4 OW1 76.37(18) 3_656 . ? OH3 Te4 OW1 103.89(17) 2_655 . ? Fe1 Te4 OW1 149.57(12) . . ? S Te4 OW1 94.38(14) 3_656 . ? OH3 Te4 OW1 104.54(17) 2_645 . ? Te3 Te4 OW1 112.85(13) 4_565 . ? Te3 Te4 OW1 99.55(12) 3_556 . ? OW3 Te4 OW1 60.0(2) 2_645 . ? O14 Te4 Te2 81.1(2) . 3_655 ? OH1 Te4 Te2 156.6(3) . 3_655 ? OH2 Te4 Te2 118.1(2) . 3_655 ? O12 Te4 Te2 78.44(15) 4_565 3_655 ? O3 Te4 Te2 43.71(17) 3_656 3_655 ? O10 Te4 Te2 25.01(13) 3_655 3_655 ? Fe2 Te4 Te2 53.10(3) 3_656 3_655 ? OW2 Te4 Te2 72.25(13) 4_565 3_655 ? O5 Te4 Te2 44.53(12) 4_565 3_655 ? O11 Te4 Te2 108.65(12) 4_565 3_655 ? O2 Te4 Te2 75.08(13) 3_656 3_655 ? OH3 Te4 Te2 89.46(12) 2_655 3_655 ? Fe1 Te4 Te2 51.39(4) . 3_655 ? S Te4 Te2 57.77(5) 3_656 3_655 ? OH3 Te4 Te2 53.28(11) 2_645 3_655 ? Te3 Te4 Te2 95.52(3) 4_565 3_655 ? Te3 Te4 Te2 93.49(2) 3_556 3_655 ? OW3 Te4 Te2 102.18(16) 2_645 3_655 ? OW1 Te4 Te2 151.45(13) . 3_655 ? O14 Te4 Fe3 147.3(2) . 4_565 ? OH1 Te4 Fe3 110.7(3) . 4_565 ? OH2 Te4 Fe3 103.1(3) . 4_565 ? O12 Te4 Fe3 91.70(17) 4_565 4_565 ? O3 Te4 Fe3 63.30(17) 3_656 4_565 ? O10 Te4 Fe3 86.09(14) 3_655 4_565 ? Fe2 Te4 Fe3 119.10(5) 3_656 4_565 ? OW2 Te4 Fe3 27.78(12) 4_565 4_565 ? O5 Te4 Fe3 26.47(12) 4_565 4_565 ? O11 Te4 Fe3 70.02(12) 4_565 4_565 ? O2 Te4 Fe3 97.59(15) 3_656 4_565 ? OH3 Te4 Fe3 27.27(11) 2_655 4_565 ? Fe1 Te4 Fe3 88.50(5) . 4_565 ? S Te4 Fe3 77.70(6) 3_656 4_565 ? OH3 Te4 Fe3 112.64(11) 2_645 4_565 ? Te3 Te4 Fe3 84.91(4) 4_565 4_565 ? Te3 Te4 Fe3 134.92(3) 3_556 4_565 ? OW3 Te4 Fe3 151.07(15) 2_645 4_565 ? OW1 Te4 Fe3 117.57(13) . 4_565 ? Te2 Te4 Fe3 66.20(4) 3_655 4_565 ? O14 Te4 OW3 139.2(3) . 2_655 ? OH1 Te4 OW3 40.8(3) . 2_655 ? OH2 Te4 OW3 80.4(3) . 2_655 ? O12 Te4 OW3 93.3(2) 4_565 2_655 ? O3 Te4 OW3 122.4(2) 3_656 2_655 ? O10 Te4 OW3 146.34(19) 3_655 2_655 ? Fe2 Te4 OW3 161.84(13) 3_656 2_655 ? OW2 Te4 OW3 76.12(18) 4_565 2_655 ? O5 Te4 OW3 92.90(17) 4_565 2_655 ? O11 Te4 OW3 44.71(18) 4_565 2_655 ? O2 Te4 OW3 121.37(19) 3_656 2_655 ? OH3 Te4 OW3 47.91(17) 2_655 2_655 ? Fe1 Te4 OW3 119.41(13) . 2_655 ? S Te4 OW3 122.78(14) 3_656 2_655 ? OH3 Te4 OW3 163.86(17) 2_645 2_655 ? Te3 Te4 OW3 70.50(13) 4_565 2_655 ? Te3 Te4 OW3 109.08(13) 3_556 2_655 ? OW3 Te4 OW3 119.3(2) 2_645 2_655 ? OW1 Te4 OW3 60.79(18) . 2_655 ? Te2 Te4 OW3 137.37(12) 3_655 2_655 ? Fe3 Te4 OW3 72.43(13) 4_565 2_655 ? O14 Te4 Te1 73.5(2) . . ? OH1 Te4 Te1 25.4(3) . . ? OH2 Te4 Te1 85.9(2) . . ? O12 Te4 Te1 75.33(16) 4_565 . ? O3 Te4 Te1 157.54(16) 3_656 . ? O10 Te4 Te1 120.97(14) 3_655 . ? Fe2 Te4 Te1 98.19(4) 3_656 . ? OW2 Te4 Te1 140.40(13) 4_565 . ? O5 Te4 Te1 141.05(12) 4_565 . ? O11 Te4 Te1 69.14(12) 4_565 . ? O2 Te4 Te1 117.48(13) 3_656 . ? OH3 Te4 Te1 108.00(11) 2_655 . ? Fe1 Te4 Te1 97.69(5) . . ? S Te4 Te1 139.68(5) 3_656 . ? OH3 Te4 Te1 111.89(11) 2_645 . ? Te3 Te4 Te1 66.60(3) 4_565 . ? Te3 Te4 Te1 52.48(2) 3_556 . ? OW3 Te4 Te1 69.17(15) 2_645 . ? OW1 Te4 Te1 53.10(12) . . ? Te2 Te4 Te1 145.96(3) 3_655 . ? Fe3 Te4 Te1 135.27(4) 4_565 . ? OW3 Te4 Te1 65.98(12) 2_655 . ? O14 Te4 Te1 115.8(2) . 4_565 ? OH1 Te4 Te1 112.0(3) . 4_565 ? OH2 Te4 Te1 142.3(3) . 4_565 ? O12 Te4 Te1 54.81(16) 4_565 4_565 ? O3 Te4 Te1 77.92(16) 3_656 4_565 ? O10 Te4 Te1 56.61(14) 3_655 4_565 ? Fe2 Te4 Te1 90.64(4) 3_656 4_565 ? OW2 Te4 Te1 65.72(13) 4_565 4_565 ? O5 Te4 Te1 18.95(12) 4_565 4_565 ? O11 Te4 Te1 60.26(12) 4_565 4_565 ? O2 Te4 Te1 117.82(13) 3_656 4_565 ? OH3 Te4 Te1 47.78(12) 2_655 4_565 ? Fe1 Te4 Te1 48.74(3) . 4_565 ? S Te4 Te1 95.89(5) 3_656 4_565 ? OH3 Te4 Te1 102.11(11) 2_645 4_565 ? Te3 Te4 Te1 57.69(2) 4_565 4_565 ? Te3 Te4 Te1 95.66(3) 3_556 4_565 ? OW3 Te4 Te1 148.58(16) 2_645 4_565 ? OW1 Te4 Te1 151.40(13) . 4_565 ? Te2 Te4 Te1 49.67(3) 3_655 4_565 ? Fe3 Te4 Te1 40.14(3) 4_565 4_565 ? OW3 Te4 Te1 91.38(13) 2_655 4_565 ? Te1 Te4 Te1 124.17(4) . 4_565 ? O14 Te4 OW5 67.1(3) . 2_645 ? OH1 Te4 OW5 86.5(3) . 2_645 ? OH2 Te4 OW5 25.8(3) . 2_645 ? O12 Te4 OW5 141.7(2) 4_565 2_645 ? O3 Te4 OW5 81.8(2) 3_656 2_645 ? O10 Te4 OW5 115.63(19) 3_655 2_645 ? Fe2 Te4 OW5 86.04(13) 3_656 2_645 ? OW2 Te4 OW5 98.99(18) 4_565 2_645 ? O5 Te4 OW5 141.50(17) 4_565 2_645 ? O11 Te4 OW5 136.91(16) 4_565 2_645 ? O2 Te4 OW5 42.16(17) 3_656 2_645 ? OH3 Te4 OW5 130.99(17) 2_655 2_645 ? Fe1 Te4 OW5 136.09(13) . 2_645 ? S Te4 OW5 63.85(13) 3_656 2_645 ? OH3 Te4 OW5 66.43(16) 2_645 2_645 ? Te3 Te4 OW5 142.61(12) 4_565 2_645 ? Te3 Te4 OW5 98.23(13) 3_556 2_645 ? OW3 Te4 OW5 31.8(2) 2_645 2_645 ? OW1 Te4 OW5 38.76(18) . 2_645 ? Te2 Te4 OW5 114.41(12) 3_655 2_645 ? Fe3 Te4 OW5 126.62(13) 4_565 2_645 ? OW3 Te4 OW5 98.01(18) 2_655 2_645 ? Te1 Te4 OW5 76.18(12) . 2_645 ? Te1 Te4 OW5 159.65(11) 4_565 2_645 ? O14 Te4 Te2 41.0(2) . 2_645 ? OH1 Te4 Te2 66.2(3) . 2_645 ? OH2 Te4 Te2 66.8(3) . 2_645 ? O12 Te4 Te2 97.50(16) 4_565 2_645 ? O3 Te4 Te2 115.40(17) 3_656 2_645 ? O10 Te4 Te2 103.16(14) 3_655 2_645 ? Fe2 Te4 Te2 69.19(4) 3_656 2_645 ? OW2 Te4 Te2 143.16(12) 4_565 2_645 ? O5 Te4 Te2 163.64(12) 4_565 2_645 ? O11 Te4 Te2 112.14(12) 4_565 2_645 ? O2 Te4 Te2 77.89(14) 3_656 2_645 ? OH3 Te4 Te2 149.05(11) 2_655 2_645 ? Fe1 Te4 Te2 102.21(4) . 2_645 ? S Te4 Te2 99.20(5) 3_656 2_645 ? OH3 Te4 Te2 70.91(11) 2_645 2_645 ? Te3 Te4 Te2 101.52(3) 4_565 2_645 ? Te3 Te4 Te2 55.001(19) 3_556 2_645 ? OW3 Te4 Te2 25.73(15) 2_645 2_645 ? OW1 Te4 Te2 52.09(13) . 2_645 ? Te2 Te4 Te2 121.01(4) 3_655 2_645 ? Fe3 Te4 Te2 169.29(3) 4_565 2_645 ? OW3 Te4 Te2 101.44(13) 2_655 2_645 ? Te1 Te4 Te2 43.60(3) . 2_645 ? Te1 Te4 Te2 150.40(3) 4_565 2_645 ? OW5 Te4 Te2 44.39(12) 2_645 2_645 ? O14 Te4 OW4 115.8(2) . 4_566 ? OH1 Te4 OW4 59.7(3) . 4_566 ? OH2 Te4 OW4 33.4(3) . 4_566 ? O12 Te4 OW4 136.35(19) 4_565 4_566 ? O3 Te4 OW4 98.3(2) 3_656 4_566 ? O10 Te4 OW4 162.55(17) 3_655 4_566 ? Fe2 Te4 OW4 139.03(11) 3_656 4_566 ? OW2 Te4 OW4 74.09(16) 4_565 4_566 ? O5 Te4 OW4 118.12(16) 4_565 4_566 ? O11 Te4 OW4 91.41(16) 4_565 4_566 ? O2 Te4 OW4 76.88(18) 3_656 4_566 ? OH3 Te4 OW4 81.04(16) 2_655 4_566 ? Fe1 Te4 OW4 165.17(11) . 4_566 ? S Te4 OW4 87.41(12) 3_656 4_566 ? OH3 Te4 OW4 116.82(16) 2_645 4_566 ? Te3 Te4 OW4 114.77(12) 4_565 4_566 ? Te3 Te4 OW4 123.14(10) 3_556 4_566 ? OW3 Te4 OW4 81.65(19) 2_645 4_566 ? OW1 Te4 OW4 25.93(15) . 4_566 ? Te2 Te4 OW4 141.12(11) 3_655 4_566 ? Fe3 Te4 OW4 91.68(11) 4_565 4_566 ? OW3 Te4 OW4 47.05(17) 2_655 4_566 ? Te1 Te4 OW4 71.95(11) . 4_566 ? Te1 Te4 OW4 128.33(11) 4_565 4_566 ? OW5 Te4 OW4 53.08(17) 2_645 4_566 ? Te2 Te4 OW4 77.87(10) 2_645 4_566 ? O14 Te4 Te2 114.8(2) . 2_655 ? OH1 Te4 Te2 16.1(3) . 2_655 ? OH2 Te4 Te2 82.7(2) . 2_655 ? O12 Te4 Te2 84.23(16) 4_565 2_655 ? O3 Te4 Te2 144.96(17) 3_656 2_655 ? O10 Te4 Te2 145.30(13) 3_655 2_655 ? Fe2 Te4 Te2 138.32(4) 3_656 2_655 ? OW2 Te4 Te2 100.63(13) 4_565 2_655 ? O5 Te4 Te2 112.14(12) 4_565 2_655 ? O11 Te4 Te2 45.97(12) 4_565 2_655 ? O2 Te4 Te2 127.51(13) 3_656 2_655 ? OH3 Te4 Te2 69.32(12) 2_655 2_655 ? Fe1 Te4 Te2 113.09(4) . 2_655 ? S Te4 Te2 139.10(5) 3_656 2_655 ? OH3 Te4 Te2 150.65(11) 2_645 2_655 ? Te3 Te4 Te2 63.44(3) 4_565 2_655 ? Te3 Te4 Te2 86.81(3) 3_556 2_655 ? OW3 Te4 Te2 102.01(16) 2_645 2_655 ? OW1 Te4 Te2 52.67(13) . 2_655 ? Te2 Te4 Te2 154.24(2) 3_655 2_655 ? Fe3 Te4 Te2 95.70(5) 4_565 2_655 ? OW3 Te4 Te2 24.75(12) 2_655 2_655 ? Te1 Te4 Te2 41.31(2) . 2_655 ? Te1 Te4 Te2 104.63(4) 4_565 2_655 ? OW5 Te4 Te2 90.97(12) 2_645 2_655 ? Te2 Te4 Te2 79.85(4) 2_645 2_655 ? OW4 Te4 Te2 52.14(11) 4_566 2_655 ? O8 Fe1 O12 89.1(3) 1_455 4_565 ? O8 Fe1 O7 86.5(3) 1_455 2_545 ? O12 Fe1 O7 171.9(3) 4_565 2_545 ? O8 Fe1 O10 172.7(3) 1_455 3_655 ? O12 Fe1 O10 93.9(3) 4_565 3_655 ? O7 Fe1 O10 91.2(3) 2_545 3_655 ? O8 Fe1 O7 89.1(3) 1_455 4_565 ? O12 Fe1 O7 103.7(3) 4_565 4_565 ? O7 Fe1 O7 83.1(3) 2_545 4_565 ? O10 Fe1 O7 83.7(3) 3_655 4_565 ? O8 Fe1 O13 106.9(3) 1_455 3_556 ? O12 Fe1 O13 84.5(3) 4_565 3_556 ? O7 Fe1 O13 90.3(3) 2_545 3_556 ? O10 Fe1 O13 80.1(3) 3_655 3_556 ? O7 Fe1 O13 162.3(3) 4_565 3_556 ? O8 Fe1 Te3 60.8(2) 1_455 4_565 ? O12 Fe1 Te3 29.4(2) 4_565 4_565 ? O7 Fe1 Te3 147.2(2) 2_545 4_565 ? O10 Fe1 Te3 121.1(2) 3_655 4_565 ? O7 Fe1 Te3 94.4(2) 4_565 4_565 ? O13 Fe1 Te3 99.9(2) 3_556 4_565 ? O8 Fe1 Te3 91.5(2) 1_455 3_556 ? O12 Fe1 Te3 56.9(2) 4_565 3_556 ? O7 Fe1 Te3 116.4(2) 2_545 3_556 ? O10 Fe1 Te3 95.8(2) 3_655 3_556 ? O7 Fe1 Te3 160.5(2) 4_565 3_556 ? O13 Fe1 Te3 30.8(2) 3_556 3_556 ? Te3 Fe1 Te3 69.11(4) 4_565 3_556 ? O8 Fe1 Te2 26.0(2) 1_455 1_455 ? O12 Fe1 Te2 115.1(2) 4_565 1_455 ? O7 Fe1 Te2 60.8(2) 2_545 1_455 ? O10 Fe1 Te2 150.1(2) 3_655 1_455 ? O7 Fe1 Te2 82.9(2) 4_565 1_455 ? O13 Fe1 Te2 108.2(2) 3_556 1_455 ? Te3 Fe1 Te2 86.46(4) 4_565 1_455 ? Te3 Fe1 Te2 105.57(5) 3_556 1_455 ? O8 Fe1 Te2 145.3(2) 1_455 3_655 ? O12 Fe1 Te2 107.6(2) 4_565 3_655 ? O7 Fe1 Te2 79.7(2) 2_545 3_655 ? O10 Fe1 Te2 27.4(2) 3_655 3_655 ? O7 Fe1 Te2 57.9(2) 4_565 3_655 ? O13 Fe1 Te2 104.9(2) 3_556 3_655 ? Te3 Fe1 Te2 126.22(5) 4_565 3_655 ? Te3 Fe1 Te2 123.17(5) 3_556 3_655 ? Te2 Fe1 Te2 127.53(6) 1_455 3_655 ? O8 Fe1 Te1 88.8(2) 1_455 2_545 ? O12 Fe1 Te1 147.3(2) 4_565 2_545 ? O7 Fe1 Te1 25.9(2) 2_545 2_545 ? O10 Fe1 Te1 92.2(2) 3_655 2_545 ? O7 Fe1 Te1 108.9(2) 4_565 2_545 ? O13 Fe1 Te1 65.1(2) 3_556 2_545 ? Te3 Fe1 Te1 141.63(5) 4_565 2_545 ? Te3 Fe1 Te1 90.62(5) 3_556 2_545 ? Te2 Fe1 Te1 67.42(4) 1_455 2_545 ? Te2 Fe1 Te1 92.15(5) 3_655 2_545 ? O8 Fe1 Te1 88.7(2) 1_455 4_565 ? O12 Fe1 Te1 82.6(2) 4_565 4_565 ? O7 Fe1 Te1 104.1(2) 2_545 4_565 ? O10 Fe1 Te1 85.1(2) 3_655 4_565 ? O7 Fe1 Te1 21.1(2) 4_565 4_565 ? O13 Fe1 Te1 159.5(2) 3_556 4_565 ? Te3 Fe1 Te1 75.80(5) 4_565 4_565 ? Te3 Fe1 Te1 139.39(5) 3_556 4_565 ? Te2 Fe1 Te1 91.70(5) 1_455 4_565 ? Te2 Fe1 Te1 64.54(4) 3_655 4_565 ? Te1 Fe1 Te1 129.97(5) 2_545 4_565 ? OH3 Fe2 O11 94.2(3) 4_566 2_656 ? OH3 Fe2 O10 102.6(3) 4_566 1_556 ? O11 Fe2 O10 163.0(3) 2_656 1_556 ? OH3 Fe2 O6 97.0(3) 4_566 2_656 ? O11 Fe2 O6 88.1(3) 2_656 2_656 ? O10 Fe2 O6 92.0(3) 1_556 2_656 ? OH3 Fe2 O14 91.2(3) 4_566 3_656 ? O11 Fe2 O14 90.8(3) 2_656 3_656 ? O10 Fe2 O14 86.6(3) 1_556 3_656 ? O6 Fe2 O14 171.8(3) 2_656 3_656 ? OH3 Fe2 O13 176.4(3) 4_566 1_655 ? O11 Fe2 O13 84.5(3) 2_656 1_655 ? O10 Fe2 O13 78.6(3) 1_556 1_655 ? O6 Fe2 O13 86.4(3) 2_656 1_655 ? O14 Fe2 O13 85.4(3) 3_656 1_655 ? OH3 Fe2 Te3 110.9(2) 4_566 2_656 ? O11 Fe2 Te3 31.5(2) 2_656 2_656 ? O10 Fe2 Te3 138.3(2) 1_556 2_656 ? O6 Fe2 Te3 60.5(2) 2_656 2_656 ? O14 Fe2 Te3 115.9(2) 3_656 2_656 ? O13 Fe2 Te3 69.6(2) 1_655 2_656 ? OH3 Fe2 Te3 145.1(2) 4_566 1_655 ? O11 Fe2 Te3 68.5(2) 2_656 1_655 ? O10 Fe2 Te3 95.8(2) 1_556 1_655 ? O6 Fe2 Te3 111.9(2) 2_656 1_655 ? O14 Fe2 Te3 60.3(2) 3_656 1_655 ? O13 Fe2 Te3 31.38(19) 1_655 1_655 ? Te3 Fe2 Te3 70.24(5) 2_656 1_655 ? OH3 Fe2 Te4 90.5(2) 4_566 3_656 ? O11 Fe2 Te4 116.2(2) 2_656 3_656 ? O10 Fe2 Te4 62.0(2) 1_556 3_656 ? O6 Fe2 Te4 154.0(2) 2_656 3_656 ? O14 Fe2 Te4 25.4(2) 3_656 3_656 ? O13 Fe2 Te4 87.0(2) 1_655 3_656 ? Te3 Fe2 Te4 138.70(5) 2_656 3_656 ? Te3 Fe2 Te4 72.28(5) 1_655 3_656 ? OH3 Fe2 Te2 79.7(2) 4_566 1_556 ? O11 Fe2 Te2 167.8(2) 2_656 1_556 ? O10 Fe2 Te2 26.3(2) 1_556 1_556 ? O6 Fe2 Te2 82.2(2) 2_656 1_556 ? O14 Fe2 Te2 99.8(2) 3_656 1_556 ? O13 Fe2 Te2 102.2(2) 1_655 1_556 ? Te3 Fe2 Te2 141.85(5) 2_656 1_556 ? Te3 Fe2 Te2 122.12(5) 1_655 1_556 ? Te4 Fe2 Te2 74.68(5) 3_656 1_556 ? OH3 Fe2 Te1 76.3(2) 4_566 2_656 ? O11 Fe2 Te1 101.3(2) 2_656 2_656 ? O10 Fe2 Te1 85.1(2) 1_556 2_656 ? O6 Fe2 Te1 23.8(2) 2_656 2_656 ? O14 Fe2 Te1 163.2(2) 3_656 2_656 ? O13 Fe2 Te1 107.2(2) 1_655 2_656 ? Te3 Fe2 Te1 79.59(5) 2_656 2_656 ? Te3 Fe2 Te1 135.22(5) 1_655 2_656 ? Te4 Fe2 Te1 141.19(5) 3_656 2_656 ? Te2 Fe2 Te1 67.16(5) 1_556 2_656 ? OH3 Fe2 OW3 64.1(3) 4_566 4_566 ? O11 Fe2 OW3 57.3(3) 2_656 4_566 ? O10 Fe2 OW3 128.9(3) 1_556 4_566 ? O6 Fe2 OW3 136.7(3) 2_656 4_566 ? O14 Fe2 OW3 47.6(3) 3_656 4_566 ? O13 Fe2 OW3 112.4(3) 1_655 4_566 ? Te3 Fe2 OW3 88.88(16) 2_656 4_566 ? Te3 Fe2 OW3 81.19(17) 1_655 4_566 ? Te4 Fe2 OW3 68.69(16) 3_656 4_566 ? Te2 Fe2 OW3 127.01(16) 1_556 4_566 ? Te1 Fe2 OW3 131.42(18) 2_656 4_566 ? O5 Fe3 O9 84.4(3) . 2_645 ? O5 Fe3 OH3 91.1(3) . 3_656 ? O9 Fe3 OH3 89.8(3) 2_645 3_656 ? O5 Fe3 O4 177.3(3) . 2_646 ? O9 Fe3 O4 95.1(3) 2_645 2_646 ? OH3 Fe3 O4 91.6(3) 3_656 2_646 ? O5 Fe3 OW2 94.4(3) . . ? O9 Fe3 OW2 178.3(3) 2_645 . ? OH3 Fe3 OW2 91.5(3) 3_656 . ? O4 Fe3 OW2 86.0(3) 2_646 . ? O5 Fe3 OW1 94.0(4) . . ? O9 Fe3 OW1 91.4(3) 2_645 . ? OH3 Fe3 OW1 174.9(3) 3_656 . ? O4 Fe3 OW1 83.4(4) 2_646 . ? OW2 Fe3 OW1 87.4(3) . . ? O5 Fe3 Te1 32.4(2) . . ? O9 Fe3 Te1 52.6(2) 2_645 . ? OH3 Fe3 Te1 85.5(2) 3_656 . ? O4 Fe3 Te1 147.5(2) 2_646 . ? OW2 Fe3 Te1 126.4(2) . . ? OW1 Fe3 Te1 99.2(3) . . ? O5 Fe3 Te2 103.0(2) . 2_645 ? O9 Fe3 Te2 21.7(2) 2_645 2_645 ? OH3 Fe3 Te2 78.4(2) 3_656 2_645 ? O4 Fe3 Te2 77.0(2) 2_646 2_645 ? OW2 Fe3 Te2 159.9(2) . 2_645 ? OW1 Fe3 Te2 101.1(3) . 2_645 ? Te1 Fe3 Te2 70.62(4) . 2_645 ? O5 Fe3 OW5 136.4(3) . 2_645 ? O9 Fe3 OW5 71.1(3) 2_645 2_645 ? OH3 Fe3 OW5 123.2(3) 3_656 2_645 ? O4 Fe3 OW5 41.1(3) 2_646 2_645 ? OW2 Fe3 OW5 109.1(3) . 2_645 ? OW1 Fe3 OW5 52.7(3) . 2_645 ? Te1 Fe3 OW5 117.06(16) . 2_645 ? Te2 Fe3 OW5 64.33(17) 2_645 2_645 ? O5 Fe3 OW4 93.6(3) . 4_566 ? O9 Fe3 OW4 123.9(3) 2_645 4_566 ? OH3 Fe3 OW4 146.3(3) 3_656 4_566 ? O4 Fe3 OW4 84.4(3) 2_646 4_566 ? OW2 Fe3 OW4 54.9(3) . 4_566 ? OW1 Fe3 OW4 32.6(3) . 4_566 ? Te1 Fe3 OW4 115.02(15) . 4_566 ? Te2 Fe3 OW4 132.37(15) 2_645 4_566 ? OW5 Fe3 OW4 72.8(2) 2_645 4_566 ? O5 Fe3 OH1 54.6(3) . . ? O9 Fe3 OH1 61.0(2) 2_645 . ? OH3 Fe3 OH1 134.5(3) 3_656 . ? O4 Fe3 OH1 122.9(3) 2_646 . ? OW2 Fe3 OH1 117.4(3) . . ? OW1 Fe3 OH1 50.1(3) . . ? Te1 Fe3 OH1 49.25(12) . . ? Te2 Fe3 OH1 81.44(12) 2_645 . ? OW5 Fe3 OH1 81.88(19) 2_645 . ? OW4 Fe3 OH1 72.64(18) 4_566 . ? O5 Fe3 Te4 54.9(2) . 4_566 ? O9 Fe3 Te4 125.0(2) 2_645 4_566 ? OH3 Fe3 Te4 59.7(2) 3_656 4_566 ? O4 Fe3 Te4 127.1(2) 2_646 4_566 ? OW2 Fe3 Te4 54.9(2) . 4_566 ? OW1 Fe3 Te4 123.1(3) . 4_566 ? Te1 Fe3 Te4 78.50(5) . 4_566 ? Te2 Fe3 Te4 129.34(5) 2_645 4_566 ? OW5 Fe3 Te4 163.70(16) 2_645 4_566 ? OW4 Fe3 Te4 96.75(16) 4_566 4_566 ? OH1 Fe3 Te4 107.41(12) . 4_566 ? O1 S O2 112.9(5) . . ? O1 S O3 110.4(5) . . ? O2 S O3 108.3(5) . . ? O1 S O4 108.9(5) . . ? O2 S O4 108.7(5) . . ? O3 S O4 107.5(5) . . ? O1 S OH3 169.8(4) . 4_566 ? O2 S OH3 65.5(4) . 4_566 ? O3 S OH3 79.2(4) . 4_566 ? O4 S OH3 63.7(4) . 4_566 ? O1 S OH2 106.8(4) . 3_656 ? O2 S OH2 51.4(4) . 3_656 ? O3 S OH2 62.9(4) . 3_656 ? O4 S OH2 144.0(4) . 3_656 ? OH3 S OH2 80.2(2) 4_566 3_656 ? O1 S OW5 71.4(4) . 1_556 ? O2 S OW5 157.1(4) . 1_556 ? O3 S OW5 89.9(4) . 1_556 ? O4 S OW5 50.9(4) . 1_556 ? OH3 S OW5 106.1(2) 4_566 1_556 ? OH2 S OW5 150.9(3) 3_656 1_556 ? O1 S OW2 69.3(4) . 2_646 ? O2 S OW2 112.6(4) . 2_646 ? O3 S OW2 43.6(4) . 2_646 ? O4 S OW2 135.6(4) . 2_646 ? OH3 S OW2 120.9(2) 4_566 2_646 ? OH2 S OW2 63.3(2) 3_656 2_646 ? OW5 S OW2 90.2(2) 1_556 2_646 ? O1 S OW4 77.8(4) . 4_566 ? O2 S OW4 37.8(4) . 4_566 ? O3 S OW4 136.8(4) . 4_566 ? O4 S OW4 109.3(4) . 4_566 ? OH3 S OW4 97.6(2) 4_566 4_566 ? OH2 S OW4 74.0(2) 3_656 4_566 ? OW5 S OW4 131.2(3) 1_556 4_566 ? OW2 S OW4 113.3(2) 2_646 4_566 ? O1 S OW2 122.0(4) . 2_656 ? O2 S OW2 70.7(4) . 2_656 ? O3 S OW2 123.5(4) . 2_656 ? O4 S OW2 38.1(3) . 2_656 ? OH3 S OW2 47.87(19) 4_566 2_656 ? OH2 S OW2 115.2(2) 3_656 2_656 ? OW5 S OW2 87.7(2) 1_556 2_656 ? OW2 S OW2 167.0(3) 2_646 2_656 ? OW4 S OW2 77.4(2) 4_566 2_656 ? O1 S OW2 31.8(4) . . ? O2 S OW2 90.3(4) . . ? O3 S OW2 141.4(4) . . ? O4 S OW2 97.4(4) . . ? OH3 S OW2 139.1(2) 4_566 . ? OH2 S OW2 110.7(2) 3_656 . ? OW5 S OW2 83.4(2) 1_556 . ? OW2 S OW2 98.24(19) 2_646 . ? OW4 S OW2 52.49(19) 4_566 . ? OW2 S OW2 94.31(19) 2_656 . ? O1 S Te4 121.6(4) . 3_656 ? O2 S Te4 72.3(4) . 3_656 ? O3 S Te4 36.3(4) . 3_656 ? O4 S Te4 124.7(3) . 3_656 ? OH3 S Te4 68.07(15) 4_566 3_656 ? OH2 S Te4 29.42(14) 3_656 3_656 ? OW5 S Te4 126.0(2) 1_556 3_656 ? OW2 S Te4 57.17(14) 2_646 3_656 ? OW4 S Te4 102.21(18) 4_566 3_656 ? OW2 S Te4 114.55(15) 2_656 3_656 ? OW2 S Te4 137.45(14) . 3_656 ? S O1 OW2 131.7(6) . . ? S O1 OW4 115.2(5) . 3_656 ? OW2 O1 OW4 107.0(4) . 3_656 ? S O1 OW2 86.7(4) . 2_646 ? OW2 O1 OW2 135.2(4) . 2_646 ? OW4 O1 OW2 62.2(3) 3_656 2_646 ? S O1 OW5 84.5(4) . 1_556 ? OW2 O1 OW5 107.1(4) . 1_556 ? OW4 O1 OW5 49.8(3) 3_656 1_556 ? OW2 O1 OW5 97.2(3) 2_646 1_556 ? S O2 OH2 103.4(5) . 3_656 ? S O2 OW4 122.9(5) . 4_566 ? OH2 O2 OW4 104.1(4) 3_656 4_566 ? S O2 OH3 87.0(4) . 4_566 ? OH2 O2 OH3 97.7(4) 3_656 4_566 ? OW4 O2 OH3 136.1(4) 4_566 4_566 ? S O2 OW5 164.9(5) . 4_566 ? OH2 O2 OW5 68.5(3) 3_656 4_566 ? OW4 O2 OW5 50.9(3) 4_566 4_566 ? OH3 O2 OW5 106.4(4) 4_566 4_566 ? S O2 OW3 143.5(5) . 4_566 ? OH2 O2 OW3 65.4(3) 3_656 4_566 ? OW4 O2 OW3 93.5(3) 4_566 4_566 ? OH3 O2 OW3 62.0(3) 4_566 4_566 ? OW5 O2 OW3 46.2(3) 4_566 4_566 ? S O2 OW2 86.3(4) . 2_656 ? OH2 O2 OW2 147.7(4) 3_656 2_656 ? OW4 O2 OW2 95.5(4) 4_566 2_656 ? OH3 O2 OW2 51.5(2) 4_566 2_656 ? OW5 O2 OW2 107.3(3) 4_566 2_656 ? OW3 O2 OW2 88.3(3) 4_566 2_656 ? S O2 Te4 85.5(4) . 3_656 ? OH2 O2 Te4 29.7(2) 3_656 3_656 ? OW4 O2 Te4 133.7(4) 4_566 3_656 ? OH3 O2 Te4 73.3(2) 4_566 3_656 ? OW5 O2 Te4 91.7(3) 4_566 3_656 ? OW3 O2 Te4 68.2(2) 4_566 3_656 ? OW2 O2 Te4 124.4(3) 2_656 3_656 ? S O3 OW2 113.9(5) . 2_646 ? S O3 Te4 125.7(5) . 3_656 ? OW2 O3 Te4 80.6(3) 2_646 3_656 ? S O3 Te2 122.6(5) . 1_556 ? OW2 O3 Te2 111.3(3) 2_646 1_556 ? Te4 O3 Te2 94.6(3) 3_656 1_556 ? S O3 OH2 91.1(4) . 3_656 ? OW2 O3 OH2 79.3(3) 2_646 3_656 ? Te4 O3 OH2 37.99(19) 3_656 3_656 ? Te2 O3 OH2 130.8(4) 1_556 3_656 ? S O3 OH3 74.3(4) . 4_566 ? OW2 O3 OH3 162.3(4) 2_646 4_566 ? Te4 O3 OH3 81.9(3) 3_656 4_566 ? Te2 O3 OH3 73.2(2) 1_556 4_566 ? OH2 O3 OH3 85.0(3) 3_656 4_566 ? S O4 Fe3 132.0(5) . 2_656 ? S O4 OW1 175.0(5) . 2_656 ? Fe3 O4 OW1 48.7(3) 2_656 2_656 ? S O4 OW2 122.4(5) . 2_656 ? Fe3 O4 OW2 47.3(2) 2_656 2_656 ? OW1 O4 OW2 62.1(3) 2_656 2_656 ? S O4 OW5 104.9(5) . 1_556 ? Fe3 O4 OW5 111.1(4) 2_656 1_556 ? OW1 O4 OW5 71.4(4) 2_656 1_556 ? OW2 O4 OW5 129.8(4) 2_656 1_556 ? S O4 OH3 88.4(4) . 4_566 ? Fe3 O4 OH3 43.9(2) 2_656 4_566 ? OW1 O4 OH3 92.6(3) 2_656 4_566 ? OW2 O4 OH3 61.5(3) 2_656 4_566 ? OW5 O4 OH3 141.1(4) 1_556 4_566 ? S O4 Te2 89.2(3) . 1_556 ? Fe3 O4 Te2 70.7(2) 2_656 1_556 ? OW1 O4 Te2 86.7(3) 2_656 1_556 ? OW2 O4 Te2 117.2(3) 2_656 1_556 ? OW5 O4 Te2 75.9(3) 1_556 1_556 ? OH3 O4 Te2 67.8(2) 4_566 1_556 ? Te1 O5 Fe3 113.3(4) . . ? Te1 O5 OH3 99.4(3) . 3_656 ? Fe3 O5 OH3 44.9(2) . 3_656 ? Te1 O5 OW1 113.9(4) . . ? Fe3 O5 OW1 44.2(2) . . ? OH3 O5 OW1 89.1(3) 3_656 . ? Te1 O5 OW2 156.1(4) . . ? Fe3 O5 OW2 43.9(2) . . ? OH3 O5 OW2 60.2(3) 3_656 . ? OW1 O5 OW2 57.6(3) . . ? Te1 O5 Te2 101.3(3) . 2_655 ? Fe3 O5 Te2 139.2(3) . 2_655 ? OH3 O5 Te2 149.4(3) 3_656 2_655 ? OW1 O5 Te2 102.6(3) . 2_655 ? OW2 O5 Te2 102.4(3) . 2_655 ? Te1 O5 OH1 66.7(3) . . ? Fe3 O5 OH1 98.0(3) . . ? OH3 O5 OH1 133.6(3) 3_656 . ? OW1 O5 OH1 61.4(3) . . ? OW2 O5 OH1 116.8(3) . . ? Te2 O5 OH1 75.8(2) 2_655 . ? Te1 O5 Te4 122.2(3) . 4_566 ? Fe3 O5 Te4 98.6(3) . 4_566 ? OH3 O5 Te4 70.5(2) 3_656 4_566 ? OW1 O5 Te4 122.3(3) . 4_566 ? OW2 O5 Te4 65.6(2) . 4_566 ? Te2 O5 Te4 79.48(17) 2_655 4_566 ? OH1 O5 Te4 155.1(3) . 4_566 ? Te1 O6 Fe2 130.0(4) . 2_646 ? Te1 O6 Te3 133.0(3) . . ? Fe2 O6 Te3 80.9(3) 2_646 . ? Te1 O6 Te1 101.7(3) . 3_556 ? Fe2 O6 Te1 116.6(3) 2_646 3_556 ? Te3 O6 Te1 88.9(2) . 3_556 ? Te1 O6 OH3 93.4(3) . 3_656 ? Fe2 O6 OH3 40.4(2) 2_646 3_656 ? Te3 O6 OH3 95.7(3) . 3_656 ? Te1 O6 OH3 154.6(3) 3_556 3_656 ? Te1 O6 Te2 78.5(2) . 2_645 ? Fe2 O6 Te2 65.93(19) 2_646 2_645 ? Te3 O6 Te2 145.7(3) . 2_645 ? Te1 O6 Te2 98.3(2) 3_556 2_645 ? OH3 O6 Te2 64.6(2) 3_656 2_645 ? Te1 O7 Fe1 126.6(4) . 2 ? Te1 O7 Fe1 136.3(4) . 4_566 ? Fe1 O7 Fe1 96.9(3) 2 4_566 ? Te1 O7 Te2 101.1(3) . 2_655 ? Fe1 O7 Te2 82.6(2) 2 2_655 ? Fe1 O7 Te2 86.6(2) 4_566 2_655 ? Te1 O7 Te2 124.6(3) . 4_466 ? Fe1 O7 Te2 67.85(19) 2 4_466 ? Fe1 O7 Te2 64.24(19) 4_566 4_466 ? Te2 O7 Te2 134.2(2) 2_655 4_466 ? Te2 O8 Fe1 126.7(4) . 1_655 ? Te2 O8 Te3 148.1(4) . 4_665 ? Fe1 O8 Te3 84.1(3) 1_655 4_665 ? Te2 O8 OW3 59.8(3) . . ? Fe1 O8 OW3 140.9(4) 1_655 . ? Te3 O8 OW3 103.1(3) 4_665 . ? Te2 O8 Te1 83.0(3) . 2_655 ? Fe1 O8 Te1 119.2(3) 1_655 2_655 ? Te3 O8 Te1 73.15(18) 4_665 2_655 ? OW3 O8 Te1 99.5(3) . 2_655 ? Te2 O9 Fe3 135.3(4) . 2_655 ? Te2 O9 Te1 124.6(4) . 2_655 ? Fe3 O9 Te1 89.0(3) 2_655 2_655 ? Te2 O9 OH3 103.5(3) . 4_565 ? Fe3 O9 OH3 45.3(2) 2_655 4_565 ? Te1 O9 OH3 85.3(3) 2_655 4_565 ? Te2 O9 OW1 136.9(4) . 2_655 ? Fe3 O9 OW1 45.1(2) 2_655 2_655 ? Te1 O9 OW1 96.7(3) 2_655 2_655 ? OH3 O9 OW1 90.3(3) 4_565 2_655 ? Te2 O9 OW3 57.6(3) . . ? Fe3 O9 OW3 123.9(4) 2_655 . ? Te1 O9 OW3 131.3(3) 2_655 . ? OH3 O9 OW3 143.3(4) 4_565 . ? OW1 O9 OW3 87.2(3) 2_655 . ? Te2 O10 Fe2 126.7(4) . 1_554 ? Te2 O10 Fe1 123.8(4) . 3_655 ? Fe2 O10 Fe1 103.9(3) 1_554 3_655 ? Te2 O10 OH3 92.3(3) . 4_565 ? Fe2 O10 OH3 38.2(2) 1_554 4_565 ? Fe1 O10 OH3 141.9(3) 3_655 4_565 ? Te2 O10 Te4 112.8(3) . 3_655 ? Fe2 O10 Te4 83.3(2) 1_554 3_655 ? Fe1 O10 Te4 93.8(2) 3_655 3_655 ? OH3 O10 Te4 80.9(2) 4_565 3_655 ? Te3 O11 Fe2 115.2(4) . 2_646 ? Te3 O11 OH1 95.2(3) . 4_566 ? Fe2 O11 OH1 132.4(4) 2_646 4_566 ? Te3 O11 OH3 131.2(4) . 3_656 ? Fe2 O11 OH3 42.9(2) 2_646 3_656 ? OH1 O11 OH3 89.5(3) 4_566 3_656 ? Te3 O11 OW3 154.0(4) . 3_656 ? Fe2 O11 OW3 90.8(3) 2_646 3_656 ? OH1 O11 OW3 64.6(3) 4_566 3_656 ? OH3 O11 OW3 68.0(3) 3_656 3_656 ? Te3 O11 Te3 92.7(3) . 2_546 ? Fe2 O11 Te3 77.3(2) 2_646 2_546 ? OH1 O11 Te3 139.8(3) 4_566 2_546 ? OH3 O11 Te3 113.9(3) 3_656 2_546 ? OW3 O11 Te3 93.4(3) 3_656 2_546 ? Te3 O11 Te4 89.6(3) . 4_566 ? Fe2 O11 Te4 109.0(3) 2_646 4_566 ? OH1 O11 Te4 31.85(18) 4_566 4_566 ? OH3 O11 Te4 70.0(2) 3_656 4_566 ? OW3 O11 Te4 81.2(3) 3_656 4_566 ? Te3 O11 Te4 171.6(2) 2_546 4_566 ? Te3 O12 Fe1 119.8(4) . 4_566 ? Te3 O12 Te4 124.7(3) . 4_566 ? Fe1 O12 Te4 111.1(3) 4_566 4_566 ? Te3 O12 Te3 106.1(3) . 2_556 ? Fe1 O12 Te3 87.1(3) 4_566 2_556 ? Te4 O12 Te3 96.1(2) 4_566 2_556 ? Te3 O12 OH1 91.6(3) . 4_566 ? Fe1 O12 OH1 148.6(4) 4_566 4_566 ? Te4 O12 OH1 39.62(19) 4_566 4_566 ? Te3 O12 OH1 86.0(3) 2_556 4_566 ? Te3 O13 Fe1 115.5(4) . 3_556 ? Te3 O13 Fe2 112.3(3) . 1_455 ? Fe1 O13 Fe2 97.5(3) 3_556 1_455 ? Te3 O13 Te3 93.0(3) . 2_556 ? Fe1 O13 Te3 151.4(3) 3_556 2_556 ? Fe2 O13 Te3 71.0(2) 1_455 2_556 ? Te3 O13 OH1 82.7(3) . 4_566 ? Fe1 O13 OH1 105.8(3) 3_556 4_566 ? Fe2 O13 OH1 143.4(4) 1_455 4_566 ? Te3 O13 OH1 75.2(2) 2_556 4_566 ? Te3 O13 Te1 142.0(3) . 4_566 ? Fe1 O13 Te1 80.0(2) 3_556 4_566 ? Fe2 O13 Te1 98.6(3) 1_455 4_566 ? Te3 O13 Te1 76.22(16) 2_556 4_566 ? OH1 O13 Te1 59.3(2) 4_566 4_566 ? Te4 O14 Fe2 126.3(4) . 3_656 ? Te4 O14 OH2 44.5(2) . . ? Fe2 O14 OH2 138.5(4) 3_656 . ? Te4 O14 OW3 121.5(4) . 2_645 ? Fe2 O14 OW3 99.3(4) 3_656 2_645 ? OH2 O14 OW3 77.3(3) . 2_645 ? Te4 O14 OH1 41.2(2) . . ? Fe2 O14 OH1 154.2(4) 3_656 . ? OH2 O14 OH1 55.1(3) . . ? OW3 O14 OH1 105.9(4) 2_645 . ? Te4 O14 OH3 114.8(4) . 2_645 ? Fe2 O14 OH3 43.0(2) 3_656 2_645 ? OH2 O14 OH3 98.8(3) . 2_645 ? OW3 O14 OH3 73.0(3) 2_645 2_645 ? OH1 O14 OH3 152.3(4) . 2_645 ? Te4 O14 Te3 112.4(3) . 3_556 ? Fe2 O14 Te3 82.8(2) 3_656 3_556 ? OH2 O14 Te3 138.1(3) . 3_556 ? OW3 O14 Te3 107.3(3) 2_645 3_556 ? OH1 O14 Te3 84.5(3) . 3_556 ? OH3 O14 Te3 122.7(3) 2_645 3_556 ? Te4 OH1 OH2 47.5(3) . . ? Te4 OH1 O11 96.4(3) . 4_565 ? OH2 OH1 O11 131.0(4) . 4_565 ? Te4 OH1 O14 39.9(2) . . ? OH2 OH1 O14 59.9(3) . . ? O11 OH1 O14 117.1(3) 4_565 . ? Te4 OH1 O12 61.9(3) . 4_565 ? OH2 OH1 O12 108.8(3) . 4_565 ? O11 OH1 O12 57.0(3) 4_565 4_565 ? O14 OH1 O12 61.6(3) . 4_565 ? Te4 OH1 OW3 116.2(4) . 2_655 ? OH2 OH1 OW3 101.0(4) . 2_655 ? O11 OH1 OW3 62.0(3) 4_565 2_655 ? O14 OH1 OW3 155.5(4) . 2_655 ? O12 OH1 OW3 117.7(4) 4_565 2_655 ? Te4 OH1 Te1 139.9(4) . . ? OH2 OH1 Te1 121.3(4) . . ? O11 OH1 Te1 107.5(3) 4_565 . ? O14 OH1 Te1 100.0(3) . . ? O12 OH1 Te1 105.2(3) 4_565 . ? OW3 OH1 Te1 103.5(3) 2_655 . ? Te4 OH1 O13 115.6(4) . 4_565 ? OH2 OH1 O13 159.0(4) . 4_565 ? O11 OH1 O13 53.7(2) 4_565 4_565 ? O14 OH1 O13 99.2(3) . 4_565 ? O12 OH1 O13 54.0(2) 4_565 4_565 ? OW3 OH1 O13 98.3(3) 2_655 4_565 ? Te1 OH1 O13 60.9(2) . 4_565 ? Te4 OH1 OW1 101.3(4) . . ? OH2 OH1 OW1 54.2(3) . . ? O11 OH1 OW1 145.1(4) 4_565 . ? O14 OH1 OW1 95.3(3) . . ? O12 OH1 OW1 156.9(4) 4_565 . ? OW3 OH1 OW1 83.2(3) 2_655 . ? Te1 OH1 OW1 77.0(2) . . ? O13 OH1 OW1 137.2(3) 4_565 . ? Te4 OH1 O5 147.5(4) . . ? OH2 OH1 O5 104.5(3) . . ? O11 OH1 O5 116.1(3) 4_565 . ? O14 OH1 O5 117.0(3) . . ? O12 OH1 O5 136.7(3) 4_565 . ? OW3 OH1 O5 81.1(3) 2_655 . ? Te1 OH1 O5 32.08(15) . . ? O13 OH1 O5 86.5(3) 4_565 . ? OW1 OH1 O5 51.2(2) . . ? Te4 OH1 Te3 90.6(3) . 4_565 ? OH2 OH1 Te3 137.7(3) . 4_565 ? O11 OH1 Te3 31.71(17) 4_565 4_565 ? O14 OH1 Te3 93.2(3) . 4_565 ? O12 OH1 Te3 32.50(17) 4_565 4_565 ? OW3 OH1 Te3 92.5(3) 2_655 4_565 ? Te1 OH1 Te3 93.3(2) . 4_565 ? O13 OH1 Te3 32.39(15) 4_565 4_565 ? OW1 OH1 Te3 168.1(3) . 4_565 ? O5 OH1 Te3 117.2(3) . 4_565 ? Te4 OH1 Te3 80.2(3) . 3_556 ? OH2 OH1 Te3 107.9(3) . 3_556 ? O11 OH1 Te3 92.9(3) 4_565 3_556 ? O14 OH1 Te3 48.9(2) . 3_556 ? O12 OH1 Te3 45.78(19) 4_565 3_556 ? OW3 OH1 Te3 150.2(3) 2_655 3_556 ? Te1 OH1 Te3 67.16(16) . 3_556 ? O13 OH1 Te3 52.06(18) 4_565 3_556 ? OW1 OH1 Te3 119.5(3) . 3_556 ? O5 OH1 Te3 98.0(2) . 3_556 ? Te3 OH1 Te3 61.20(14) 4_565 3_556 ? Te4 OH1 Te2 156.3(4) . 2_655 ? OH2 OH1 Te2 124.6(3) . 2_655 ? O11 OH1 Te2 73.4(2) 4_565 2_655 ? O14 OH1 Te2 163.2(3) . 2_655 ? O12 OH1 Te2 123.4(3) 4_565 2_655 ? OW3 OH1 Te2 40.2(2) 2_655 2_655 ? Te1 OH1 Te2 63.53(14) . 2_655 ? O13 OH1 Te2 76.0(2) 4_565 2_655 ? OW1 OH1 Te2 78.6(2) . 2_655 ? O5 OH1 Te2 47.35(16) . 2_655 ? Te3 OH1 Te2 90.95(19) 4_565 2_655 ? Te3 OH1 Te2 120.8(2) 3_556 2_655 ? Te4 OH1 OH3 68.1(3) . 2_655 ? OH2 OH1 OH3 86.4(3) . 2_655 ? O11 OH1 OH3 45.5(2) 4_565 2_655 ? O14 OH1 OH3 106.3(3) . 2_655 ? O12 OH1 OH3 74.5(3) 4_565 2_655 ? OW3 OH1 OH3 54.0(2) 2_655 2_655 ? Te1 OH1 OH3 149.1(3) . 2_655 ? O13 OH1 OH3 98.5(3) 4_565 2_655 ? OW1 OH1 OH3 115.6(3) . 2_655 ? O5 OH1 OH3 135.1(3) . 2_655 ? Te3 OH1 OH3 69.62(19) 4_565 2_655 ? Te3 OH1 OH3 120.2(2) 3_556 2_655 ? Te2 OH1 OH3 90.4(2) 2_655 2_655 ? Te4 OH1 Fe3 120.4(3) . . ? OH2 OH1 Fe3 77.9(3) . . ? O11 OH1 Fe3 142.5(3) 4_565 . ? O14 OH1 Fe3 97.5(3) . . ? O12 OH1 Fe3 145.7(3) 4_565 . ? OW3 OH1 Fe3 92.7(3) 2_655 . ? Te1 OH1 Fe3 48.67(12) . . ? O13 OH1 Fe3 109.4(2) 4_565 . ? OW1 OH1 Fe3 28.40(16) . . ? O5 OH1 Fe3 27.44(14) . . ? Te3 OH1 Fe3 141.7(2) 4_565 . ? Te3 OH1 Fe3 99.91(19) 3_556 . ? Te2 OH1 Fe3 69.74(13) 2_655 . ? OH3 OH1 Fe3 139.7(2) 2_655 . ? Te4 OH1 OW3 64.7(3) . 2_645 ? OH2 OH1 OW3 49.6(3) . 2_645 ? O11 OH1 OW3 153.1(3) 4_565 2_645 ? O14 OH1 OW3 36.3(2) . 2_645 ? O12 OH1 OW3 96.3(3) 4_565 2_645 ? OW3 OH1 OW3 142.4(4) 2_655 2_645 ? Te1 OH1 OW3 80.7(2) . 2_645 ? O13 OH1 OW3 115.5(3) 4_565 2_645 ? OW1 OH1 OW3 61.0(3) . 2_645 ? O5 OH1 OW3 84.8(3) . 2_645 ? Te3 OH1 OW3 124.8(3) 4_565 2_645 ? Te3 OH1 OW3 66.24(19) 3_556 2_645 ? Te2 OH1 OW3 131.2(2) 2_655 2_645 ? OH3 OH1 OW3 130.1(3) 2_655 2_645 ? Fe3 OH1 OW3 61.70(18) . 2_645 ? Te4 OH1 OW2 42.4(2) . 4_565 ? OH2 OH1 OW2 49.5(3) . 4_565 ? O11 OH1 OW2 81.6(3) 4_565 4_565 ? O14 OH1 OW2 81.4(2) . 4_565 ? O12 OH1 OW2 85.6(2) 4_565 4_565 ? OW3 OH1 OW2 74.2(3) 2_655 4_565 ? Te1 OH1 OW2 168.5(3) . 4_565 ? O13 OH1 OW2 130.3(3) 4_565 4_565 ? OW1 OH1 OW2 91.5(3) . 4_565 ? O5 OH1 OW2 137.6(3) . 4_565 ? Te3 OH1 OW2 98.0(2) 4_565 4_565 ? Te3 OH1 OW2 120.4(2) 3_556 4_565 ? Te2 OH1 OW2 114.1(2) 2_655 4_565 ? OH3 OH1 OW2 37.25(16) 2_655 4_565 ? Fe3 OH1 OW2 119.9(2) . 4_565 ? OW3 OH1 OW2 94.2(2) 2_645 4_565 ? Te4 OH1 OW4 100.6(3) . 4_566 ? OH2 OH1 OW4 57.1(3) . 4_566 ? O11 OH1 OW4 117.6(3) 4_565 4_566 ? O14 OH1 OW4 114.0(3) . 4_566 ? O12 OH1 OW4 158.6(3) 4_565 4_566 ? OW3 OH1 OW4 56.6(2) 2_655 4_566 ? Te1 OH1 OW4 96.2(2) . 4_566 ? O13 OH1 OW4 143.0(3) 4_565 4_566 ? OW1 OH1 OW4 29.4(2) . 4_566 ? O5 OH1 OW4 64.6(2) . 4_566 ? Te3 OH1 OW4 149.0(3) 4_565 4_566 ? Te3 OH1 OW4 148.9(2) 3_556 4_566 ? Te2 OH1 OW4 67.50(17) 2_655 4_566 ? OH3 OH1 OW4 87.8(2) 2_655 4_566 ? Fe3 OH1 OW4 52.54(15) . 4_566 ? OW3 OH1 OW4 85.8(2) 2_645 4_566 ? OW2 OH1 OW4 73.02(19) 4_565 4_566 ? Te4 OH1 Te2 93.8(3) . 2_645 ? OH2 OH1 Te2 75.8(3) . 2_645 ? O11 OH1 Te2 149.1(3) 4_565 2_645 ? O14 OH1 Te2 58.1(2) . 2_645 ? O12 OH1 Te2 103.8(3) 4_565 2_645 ? OW3 OH1 Te2 136.5(3) 2_655 2_645 ? Te1 OH1 Te2 50.26(12) . 2_645 ? O13 OH1 Te2 95.7(2) 4_565 2_645 ? OW1 OH1 Te2 59.4(2) . 2_645 ? O5 OH1 Te2 58.88(18) . 2_645 ? Te3 OH1 Te2 119.4(2) 4_565 2_645 ? Te3 OH1 Te2 60.20(12) 3_556 2_645 ? Te2 OH1 Te2 105.94(17) 2_655 2_645 ? OH3 OH1 Te2 160.6(2) 2_655 2_645 ? Fe3 OH1 Te2 43.84(9) . 2_645 ? OW3 OH1 Te2 30.51(14) 2_645 2_645 ? OW2 OH1 Te2 123.9(2) 4_565 2_645 ? OW4 OH1 Te2 88.84(18) 4_566 2_645 ? Te4 OH1 OW5 109.3(3) . 2_655 ? OH2 OH1 OW5 79.3(3) . 2_655 ? O11 OH1 OW5 86.6(3) 4_565 2_655 ? O14 OH1 OW5 139.1(3) . 2_655 ? O12 OH1 OW5 138.8(3) 4_565 2_655 ? OW3 OH1 OW5 25.6(2) 2_655 2_655 ? Te1 OH1 OW5 103.9(2) . 2_655 ? O13 OH1 OW5 121.3(3) 4_565 2_655 ? OW1 OH1 OW5 59.2(2) . 2_655 ? O5 OH1 OW5 73.8(2) . 2_655 ? Te3 OH1 OW5 117.8(2) 4_565 2_655 ? Te3 OH1 OW5 170.4(2) 3_556 2_655 ? Te2 OH1 OW5 49.93(15) 2_655 2_655 ? OH3 OH1 OW5 65.6(2) 2_655 2_655 ? Fe3 OH1 OW5 75.13(17) . 2_655 ? OW3 OH1 OW5 116.8(2) 2_645 2_655 ? OW2 OH1 OW5 69.04(19) 4_565 2_655 ? OW4 OH1 OW5 31.25(18) 4_566 2_655 ? Te2 OH1 OW5 117.3(2) 2_645 2_655 ? Te4 OH2 OH1 47.2(3) . . ? Te4 OH2 O2 105.5(4) . 3_656 ? OH1 OH2 O2 148.8(4) . 3_656 ? Te4 OH2 O14 42.8(2) . . ? OH1 OH2 O14 65.0(3) . . ? O2 OH2 O14 84.5(3) 3_656 . ? Te4 OH2 OW1 122.6(4) . . ? OH1 OH2 OW1 76.0(3) . . ? O2 OH2 OW1 125.0(4) 3_656 . ? O14 OH2 OW1 112.4(4) . . ? Te4 OH2 O3 66.1(3) . 3_656 ? OH1 OH2 O3 112.4(4) . 3_656 ? O2 OH2 O3 49.1(3) 3_656 3_656 ? O14 OH2 O3 74.9(3) . 3_656 ? OW1 OH2 O3 171.1(4) . 3_656 ? Te4 OH2 S 90.2(3) . 3_656 ? OH1 OH2 S 137.4(3) . 3_656 ? O2 OH2 S 25.1(2) 3_656 3_656 ? O14 OH2 S 85.9(3) . 3_656 ? OW1 OH2 S 146.4(4) . 3_656 ? O3 OH2 S 25.93(17) 3_656 3_656 ? Te4 OH2 OW3 94.5(3) . 2_645 ? OH1 OH2 OW3 95.4(4) . 2_645 ? O2 OH2 OW3 68.5(3) 3_656 2_645 ? O14 OH2 OW3 51.8(3) . 2_645 ? OW1 OH2 OW3 81.9(3) . 2_645 ? O3 OH2 OW3 99.8(3) 3_656 2_645 ? S OH2 OW3 89.1(3) 3_656 2_645 ? Te4 OH2 OW5 140.6(4) . 2_645 ? OH1 OH2 OW5 122.6(4) . 2_645 ? O2 OH2 OW5 65.8(3) 3_656 2_645 ? O14 OH2 OW5 98.0(3) . 2_645 ? OW1 OH2 OW5 60.4(3) . 2_645 ? O3 OH2 OW5 114.7(3) 3_656 2_645 ? S OH2 OW5 90.3(3) 3_656 2_645 ? OW3 OH2 OW5 46.2(3) 2_645 2_645 ? Te4 OH2 OW2 72.6(3) . 4_565 ? OH1 OH2 OW2 97.7(3) . 4_565 ? O2 OH2 OW2 84.5(3) 3_656 4_565 ? O14 OH2 OW2 107.3(3) . 4_565 ? OW1 OH2 OW2 131.6(4) . 4_565 ? O3 OH2 OW2 46.3(2) 3_656 4_565 ? S OH2 OW2 60.5(2) 3_656 4_565 ? OW3 OH2 OW2 146.1(3) 2_645 4_565 ? OW5 OH2 OW2 138.8(3) 2_645 4_565 ? Te4 OH2 OW4 131.7(4) . 4_566 ? OH1 OH2 OW4 91.0(3) . 4_566 ? O2 OH2 OW4 119.9(3) 3_656 4_566 ? O14 OH2 OW4 148.6(3) . 4_566 ? OW1 OH2 OW4 38.4(2) . 4_566 ? O3 OH2 OW4 135.5(3) 3_656 4_566 ? S OH2 OW4 124.8(3) 3_656 4_566 ? OW3 OH2 OW4 115.7(3) 2_645 4_566 ? OW5 OH2 OW4 77.5(3) 2_645 4_566 ? OW2 OH2 OW4 95.2(3) 4_565 4_566 ? Te4 OH2 OH3 69.9(3) . 2_645 ? OH1 OH2 OH3 106.2(3) . 2_645 ? O2 OH2 OH3 42.8(2) 3_656 2_645 ? O14 OH2 OH3 41.8(2) . 2_645 ? OW1 OH2 OH3 132.2(3) . 2_645 ? O3 OH2 OH3 49.9(2) 3_656 2_645 ? S OH2 OH3 47.92(16) 3_656 2_645 ? OW3 OH2 OH3 50.4(2) 2_645 2_645 ? OW5 OH2 OH3 81.7(3) 2_645 2_645 ? OW2 OH2 OH3 95.9(2) 4_565 2_645 ? OW4 OH2 OH3 158.0(3) 4_566 2_645 ? Te4 OH2 OW4 143.5(4) . 2_645 ? OH1 OH2 OW4 162.0(4) . 2_645 ? O2 OH2 OW4 38.1(2) 3_656 2_645 ? O14 OH2 OW4 112.6(3) . 2_645 ? OW1 OH2 OW4 89.6(3) . 2_645 ? O3 OH2 OW4 82.8(3) 3_656 2_645 ? S OH2 OW4 56.92(18) 3_656 2_645 ? OW3 OH2 OW4 71.7(3) 2_645 2_645 ? OW5 OH2 OW4 39.5(2) 2_645 2_645 ? OW2 OH2 OW4 99.9(3) 4_565 2_645 ? OW4 OH2 OW4 83.8(3) 4_566 2_645 ? OH3 OH2 OW4 75.6(2) 2_645 2_645 ? Te4 OH2 OW3 74.7(3) . 2_655 ? OH1 OH2 OW3 44.4(3) . 2_655 ? O2 OH2 OW3 157.8(4) 3_656 2_655 ? O14 OH2 OW3 107.8(3) . 2_655 ? OW1 OH2 OW3 68.3(3) . 2_655 ? O3 OH2 OW3 115.1(3) 3_656 2_655 ? S OH2 OW3 134.7(3) 3_656 2_655 ? OW3 OH2 OW3 133.7(4) 2_645 2_655 ? OW5 OH2 OW3 128.2(3) 2_645 2_655 ? OW2 OH2 OW3 74.2(2) 4_565 2_655 ? OW4 OH2 OW3 57.2(2) 4_566 2_655 ? OH3 OH2 OW3 144.5(3) 2_645 2_655 ? OW4 OH2 OW3 139.0(3) 2_645 2_655 ? Te4 OH2 OH3 51.1(2) . 2_655 ? OH1 OH2 OH3 59.7(3) . 2_655 ? O2 OH2 OH3 119.5(3) 3_656 2_655 ? O14 OH2 OH3 94.0(3) . 2_655 ? OW1 OH2 OH3 111.3(3) . 2_655 ? O3 OH2 OH3 72.1(2) 3_656 2_655 ? S OH2 OH3 94.4(2) 3_656 2_655 ? OW3 OH2 OH3 145.3(3) 2_645 2_655 ? OW5 OH2 OH3 167.4(3) 2_645 2_655 ? OW2 OH2 OH3 38.42(18) 4_565 2_655 ? OW4 OH2 OH3 90.3(2) 4_566 2_655 ? OH3 OH2 OH3 110.1(2) 2_645 2_655 ? OW4 OH2 OH3 137.2(3) 2_645 2_655 ? OW3 OH2 OH3 43.07(17) 2_655 2_655 ? Te4 OH2 OW5 137.7(4) . 4_566 ? OH1 OH2 OW5 118.9(3) . 4_566 ? O2 OH2 OW5 91.4(3) 3_656 4_566 ? O14 OH2 OW5 175.6(3) . 4_566 ? OW1 OH2 OW5 71.2(3) . 4_566 ? O3 OH2 OW5 101.2(3) 3_656 4_566 ? S OH2 OW5 89.7(2) 3_656 4_566 ? OW3 OH2 OW5 127.9(3) 2_645 4_566 ? OW5 OH2 OW5 81.7(3) 2_645 4_566 ? OW2 OH2 OW5 70.7(2) 4_565 4_566 ? OW4 OH2 OW5 35.59(19) 4_566 4_566 ? OH3 OH2 OW5 134.0(3) 2_645 4_566 ? OW4 OH2 OW5 64.5(2) 2_645 4_566 ? OW3 OH2 OW5 75.6(2) 2_655 4_566 ? OH3 OH2 OW5 86.7(2) 2_655 4_566 ? Te4 OH2 Te1 71.9(2) . . ? OH1 OH2 Te1 32.8(2) . . ? O2 OH2 Te1 138.6(3) 3_656 . ? O14 OH2 Te1 65.6(2) . . ? OW1 OH2 Te1 52.8(2) . . ? O3 OH2 Te1 136.0(3) 3_656 . ? S OH2 Te1 151.2(2) 3_656 . ? OW3 OH2 Te1 70.5(2) 2_645 . ? OW5 OH2 Te1 89.8(2) 2_645 . ? OW2 OH2 Te1 130.1(2) 4_565 . ? OW4 OH2 Te1 83.3(2) 4_566 . ? OH3 OH2 Te1 103.7(2) 2_645 . ? OW4 OH2 Te1 129.3(2) 2_645 . ? OW3 OH2 Te1 63.24(16) 2_655 . ? OH3 OH2 Te1 91.65(17) 2_655 . ? OW5 OH2 Te1 118.8(2) 4_566 . ? Te4 OH2 Te2 93.0(3) . 2_645 ? OH1 OH2 Te2 74.8(3) . 2_645 ? O2 OH2 Te2 95.1(3) 3_656 2_645 ? O14 OH2 Te2 57.8(2) . 2_645 ? OW1 OH2 Te2 60.1(2) . 2_645 ? O3 OH2 Te2 123.9(3) 3_656 2_645 ? S OH2 Te2 116.3(2) 3_656 2_645 ? OW3 OH2 Te2 27.21(19) 2_645 2_645 ? OW5 OH2 Te2 52.3(2) 2_645 2_645 ? OW2 OH2 Te2 164.9(2) 4_565 2_645 ? OW4 OH2 Te2 98.0(2) 4_566 2_645 ? OH3 OH2 Te2 74.22(17) 2_645 2_645 ? OW4 OH2 Te2 88.8(2) 2_645 2_645 ? OW3 OH2 Te2 107.1(2) 2_655 2_645 ? OH3 OH2 Te2 133.9(2) 2_655 2_645 ? OW5 OH2 Te2 124.4(2) 4_566 2_645 ? Te1 OH2 Te2 45.22(8) . 2_645 ? Te4 OH2 Te3 40.4(2) . 3_556 ? OH1 OH2 Te3 44.5(2) . 3_556 ? O2 OH2 Te3 105.9(3) 3_656 3_556 ? O14 OH2 Te3 21.86(19) . 3_556 ? OW1 OH2 Te3 95.9(3) . 3_556 ? O3 OH2 Te3 92.4(2) 3_656 3_556 ? S OH2 Te3 107.10(19) 3_656 3_556 ? OW3 OH2 Te3 59.1(2) 2_645 3_556 ? OW5 OH2 Te3 102.7(3) 2_645 3_556 ? OW2 OH2 Te3 112.9(2) 4_565 3_556 ? OW4 OH2 Te3 128.1(2) 4_566 3_556 ? OH3 OH2 Te3 63.48(15) 2_645 3_556 ? OW4 OH2 Te3 129.0(2) 2_645 3_556 ? OW3 OH2 Te3 88.67(19) 2_655 3_556 ? OH3 OH2 Te3 87.07(16) 2_655 3_556 ? OW5 OH2 Te3 162.4(2) 4_566 3_556 ? Te1 OH2 Te3 45.08(8) . 3_556 ? Te2 OH2 Te3 52.64(9) 2_645 3_556 ? Te4 OH2 OW1 151.4(3) . 3_656 ? OH1 OH2 OW1 154.0(3) . 3_656 ? O2 OH2 OW1 57.2(3) 3_656 3_656 ? O14 OH2 OW1 140.0(3) . 3_656 ? OW1 OH2 OW1 84.5(3) . 3_656 ? O3 OH2 OW1 86.6(3) 3_656 3_656 ? S OH2 OW1 64.82(17) 3_656 3_656 ? OW3 OH2 OW1 98.7(3) 2_645 3_656 ? OW5 OH2 OW1 57.9(2) 2_645 3_656 ? OW2 OH2 OW1 82.4(2) 4_565 3_656 ? OW4 OH2 OW1 63.2(2) 4_566 3_656 ? OH3 OH2 OW1 99.6(2) 2_645 3_656 ? OW4 OH2 OW1 28.50(17) 2_645 3_656 ? OW3 OH2 OW1 112.2(2) 2_655 3_656 ? OH3 OH2 OW1 114.0(2) 2_655 3_656 ? OW5 OH2 OW1 36.64(18) 4_566 3_656 ? Te1 OH2 OW1 136.53(18) . 3_656 ? Te2 OH2 OW1 110.13(18) 2_645 3_656 ? Te3 OH2 OW1 157.4(2) 3_556 3_656 ? Fe2 OH3 Fe3 127.5(4) 4_565 3_656 ? Fe2 OH3 O9 85.0(3) 4_565 4_566 ? Fe3 OH3 O9 45.0(2) 3_656 4_566 ? Fe2 OH3 O5 100.5(3) 4_565 3_656 ? Fe3 OH3 O5 43.9(2) 3_656 3_656 ? O9 OH3 O5 56.1(3) 4_566 3_656 ? Fe2 OH3 O14 45.8(2) 4_565 2_655 ? Fe3 OH3 O14 149.9(4) 3_656 2_655 ? O9 OH3 O14 110.5(3) 4_566 2_655 ? O5 OH3 O14 146.2(4) 3_656 2_655 ? Fe2 OH3 O11 42.9(2) 4_565 3_656 ? Fe3 OH3 O11 141.3(4) 3_656 3_656 ? O9 OH3 O11 118.9(3) 4_566 3_656 ? O5 OH3 O11 97.4(3) 3_656 3_656 ? O14 OH3 O11 59.8(3) 2_655 3_656 ? Fe2 OH3 O4 133.6(4) 4_565 4_565 ? Fe3 OH3 O4 44.6(2) 3_656 4_565 ? O9 OH3 O4 62.6(3) 4_566 4_565 ? O5 OH3 O4 88.5(3) 3_656 4_565 ? O14 OH3 O4 113.8(3) 2_655 4_565 ? O11 OH3 O4 173.6(4) 3_656 4_565 ? Fe2 OH3 OW2 161.0(4) 4_565 3_656 ? Fe3 OH3 OW2 44.9(2) 3_656 3_656 ? O9 OH3 OW2 89.9(3) 4_566 3_656 ? O5 OH3 OW2 61.9(3) 3_656 3_656 ? O14 OH3 OW2 151.5(4) 2_655 3_656 ? O11 OH3 OW2 127.8(4) 3_656 3_656 ? O4 OH3 OW2 57.4(3) 4_565 3_656 ? Fe2 OH3 O2 122.7(4) 4_565 4_565 ? Fe3 OH3 O2 91.6(3) 3_656 4_565 ? O9 OH3 O2 106.8(3) 4_566 4_565 ? O5 OH3 O2 133.1(4) 3_656 4_565 ? O14 OH3 O2 78.8(3) 2_655 4_565 ? O11 OH3 O2 125.9(3) 3_656 4_565 ? O4 OH3 O2 49.4(3) 4_565 4_565 ? OW2 OH3 O2 76.3(3) 3_656 4_565 ? Fe2 OH3 O6 42.6(2) 4_565 3_656 ? Fe3 OH3 O6 92.0(3) 3_656 3_656 ? O9 OH3 O6 63.3(3) 4_566 3_656 ? O5 OH3 O6 57.9(3) 3_656 3_656 ? O14 OH3 O6 88.4(3) 2_655 3_656 ? O11 OH3 O6 56.6(3) 3_656 3_656 ? O4 OH3 O6 125.8(3) 4_565 3_656 ? OW2 OH3 O6 119.2(3) 3_656 3_656 ? O2 OH3 O6 159.9(4) 4_565 3_656 ? Fe2 OH3 O10 39.2(2) 4_565 4_566 ? Fe3 OH3 O10 100.2(3) 3_656 4_566 ? O9 OH3 O10 55.9(2) 4_566 4_566 ? O5 OH3 O10 99.8(3) 3_656 4_566 ? O14 OH3 O10 55.5(2) 2_655 4_566 ? O11 OH3 O10 82.1(3) 3_656 4_566 ? O4 OH3 O10 94.5(3) 4_565 4_566 ? OW2 OH3 O10 144.5(3) 3_656 4_566 ? O2 OH3 O10 102.8(3) 4_565 4_566 ? O6 OH3 O10 57.1(2) 3_656 4_566 ? Fe2 OH3 S 119.9(3) 4_565 4_565 ? Fe3 OH3 S 72.4(2) 3_656 4_565 ? O9 OH3 S 79.3(2) 4_566 4_565 ? O5 OH3 S 116.3(3) 3_656 4_565 ? O14 OH3 S 87.4(3) 2_655 4_565 ? O11 OH3 S 145.9(3) 3_656 4_565 ? O4 OH3 S 27.91(18) 4_565 4_565 ? OW2 OH3 S 76.8(2) 3_656 4_565 ? O2 OH3 S 27.50(19) 4_565 4_565 ? O6 OH3 S 138.0(3) 3_656 4_565 ? O10 OH3 S 86.8(2) 4_566 4_565 ? Fe2 OH3 O3 93.9(3) 4_565 4_565 ? Fe3 OH3 O3 83.5(3) 3_656 4_565 ? O9 OH3 O3 69.8(3) 4_566 4_565 ? O5 OH3 O3 121.9(3) 3_656 4_565 ? O14 OH3 O3 69.4(3) 2_655 4_565 ? O11 OH3 O3 128.2(3) 3_656 4_565 ? O4 OH3 O3 45.6(2) 4_565 4_565 ? OW2 OH3 O3 101.4(3) 3_656 4_565 ? O2 OH3 O3 45.3(2) 4_565 4_565 ? O6 OH3 O3 115.7(3) 3_656 4_565 ? O10 OH3 O3 60.8(2) 4_566 4_565 ? S OH3 O3 26.49(17) 4_565 4_565 ? Fe2 OH3 OW3 84.2(3) 4_565 . ? Fe3 OH3 OW3 148.2(4) 3_656 . ? O9 OH3 OW3 162.1(4) 4_566 . ? O5 OH3 OW3 140.2(4) 3_656 . ? O14 OH3 OW3 52.2(3) 2_655 . ? O11 OH3 OW3 59.6(3) 3_656 . ? O4 OH3 OW3 116.8(3) 4_565 . ? OW2 OH3 OW3 104.8(3) 3_656 . ? O2 OH3 OW3 67.9(3) 4_565 . ? O6 OH3 OW3 115.7(3) 3_656 . ? O10 OH3 OW3 107.6(3) 4_566 . ? S OH3 OW3 93.9(3) 4_565 . ? O3 OH3 OW3 96.8(3) 4_565 . ? Fe2 OH3 Te1 72.0(2) 4_565 3_656 ? Fe3 OH3 Te1 61.3(2) 3_656 3_656 ? O9 OH3 Te1 44.18(19) 4_566 3_656 ? O5 OH3 Te1 30.42(17) 3_656 3_656 ? O14 OH3 Te1 116.9(3) 2_655 3_656 ? O11 OH3 Te1 83.9(2) 3_656 3_656 ? O4 OH3 Te1 100.2(3) 4_565 3_656 ? OW2 OH3 Te1 91.6(2) 3_656 3_656 ? O2 OH3 Te1 149.3(3) 4_565 3_656 ? O6 OH3 Te1 31.02(16) 3_656 3_656 ? O10 OH3 Te1 71.0(2) 4_566 3_656 ? S OH3 Te1 122.6(2) 4_565 3_656 ? O3 OH3 Te1 112.7(3) 4_565 3_656 ? OW3 OH3 Te1 142.8(3) . 3_656 ? Fe2 OH3 Te2 69.2(2) 4_565 4_566 ? Fe3 OH3 Te2 70.0(2) 3_656 4_566 ? O9 OH3 Te2 29.37(17) 4_566 4_566 ? O5 OH3 Te2 84.3(2) 3_656 4_566 ? O14 OH3 Te2 82.3(2) 2_655 4_566 ? O11 OH3 Te2 111.4(3) 3_656 4_566 ? O4 OH3 Te2 66.5(2) 4_565 4_566 ? OW2 OH3 Te2 113.0(3) 3_656 4_566 ? O2 OH3 Te2 94.1(3) 4_565 4_566 ? O6 OH3 Te2 68.7(2) 3_656 4_566 ? O10 OH3 Te2 31.67(15) 4_566 4_566 ? S OH3 Te2 69.27(16) 4_565 4_566 ? O3 OH3 Te2 49.52(18) 4_565 4_566 ? OW3 OH3 Te2 132.8(3) . 4_566 ? Te1 OH3 Te2 64.46(13) 3_656 4_566 ? Fe2 OH3 Te4 103.5(3) 4_565 2_645 ? Fe3 OH3 Te4 93.0(3) 3_656 2_645 ? O9 OH3 Te4 120.5(3) 4_566 2_645 ? O5 OH3 Te4 64.5(2) 3_656 2_645 ? O14 OH3 Te4 116.9(3) 2_655 2_645 ? O11 OH3 Te4 64.2(2) 3_656 2_645 ? O4 OH3 Te4 121.1(3) 4_565 2_645 ? OW2 OH3 Te4 63.7(2) 3_656 2_645 ? O2 OH3 Te4 115.6(3) 4_565 2_645 ? O6 OH3 Te4 83.9(2) 3_656 2_645 ? O10 OH3 Te4 138.9(3) 4_566 2_645 ? S OH3 Te4 134.3(2) 4_565 2_645 ? O3 OH3 Te4 160.2(3) 4_565 2_645 ? OW3 OH3 Te4 76.0(2) . 2_645 ? Te1 OH3 Te4 82.14(16) 3_656 2_645 ? Te2 OH3 Te4 146.5(2) 4_566 2_645 ? Fe2 OH3 OH1 87.9(3) 4_565 2_645 ? Fe3 OH3 OH1 120.9(3) 3_656 2_645 ? O9 OH3 OH1 143.2(3) 4_566 2_645 ? O5 OH3 OH1 90.1(3) 3_656 2_645 ? O14 OH3 OH1 89.1(3) 2_655 2_645 ? O11 OH3 OH1 45.0(2) 3_656 2_645 ? O4 OH3 OH1 138.0(3) 4_565 2_645 ? OW2 OH3 OH1 85.3(3) 3_656 2_645 ? O2 OH3 OH1 107.4(3) 4_565 2_645 ? O6 OH3 OH1 87.6(3) 3_656 2_645 ? O10 OH3 OH1 127.1(3) 4_566 2_645 ? S OH3 OH1 134.1(3) 4_565 2_645 ? O3 OH3 OH1 146.8(3) 4_565 2_645 ? OW3 OH3 OH1 50.4(2) . 2_645 ? Te1 OH3 OH1 99.4(2) 3_656 2_645 ? Te2 OH3 OH1 154.9(3) 4_566 2_645 ? Te4 OH3 OH1 28.17(13) 2_645 2_645 ? Fe2 OH3 Te4 60.4(2) 4_565 2_655 ? Fe3 OH3 Te4 126.7(3) 3_656 2_655 ? O9 OH3 Te4 96.0(3) 4_566 2_655 ? O5 OH3 Te4 149.1(3) 3_656 2_655 ? O14 OH3 Te4 24.85(17) 2_655 2_655 ? O11 OH3 Te4 84.3(2) 3_656 2_655 ? O4 OH3 Te4 89.4(2) 4_565 2_655 ? OW2 OH3 Te4 138.5(3) 3_656 2_655 ? O2 OH3 Te4 62.7(2) 4_565 2_655 ? O6 OH3 Te4 99.8(2) 3_656 2_655 ? O10 OH3 Te4 49.75(17) 4_566 2_655 ? S OH3 Te4 64.27(15) 4_565 2_655 ? O3 OH3 Te4 44.52(19) 4_565 2_655 ? OW3 OH3 Te4 66.2(2) . 2_655 ? Te1 OH3 Te4 120.6(2) 3_656 2_655 ? Te2 OH3 Te4 66.72(13) 4_566 2_655 ? Te4 OH3 Te4 139.7(2) 2_645 2_655 ? OH1 OH3 Te4 111.5(2) 2_645 2_655 ? Fe2 OH3 OW1 129.0(3) 4_565 3_656 ? Fe3 OH3 OW1 2.60(18) 3_656 3_656 ? O9 OH3 OW1 45.6(2) 4_566 3_656 ? O5 OH3 OW1 46.5(2) 3_656 3_656 ? O14 OH3 OW1 148.6(3) 2_655 3_656 ? O11 OH3 OW1 143.9(3) 3_656 3_656 ? O4 OH3 OW1 42.0(2) 4_565 3_656 ? OW2 OH3 OW1 44.4(2) 3_656 3_656 ? O2 OH3 OW1 89.0(3) 4_565 3_656 ? O6 OH3 OW1 94.3(3) 3_656 3_656 ? O10 OH3 OW1 100.4(3) 4_566 3_656 ? S OH3 OW1 69.9(2) 4_565 3_656 ? O3 OH3 OW1 81.4(3) 4_565 3_656 ? OW3 OH3 OW1 146.8(3) . 3_656 ? Te1 OH3 OW1 63.68(18) 3_656 3_656 ? Te2 OH3 OW1 69.77(18) 4_566 3_656 ? Te4 OH3 OW1 94.5(2) 2_645 3_656 ? OH1 OH3 OW1 122.2(3) 2_645 3_656 ? Te4 OH3 OW1 124.9(2) 2_655 3_656 ? Fe3 OW1 OW4 122.5(4) . 4_566 ? Fe3 OW1 O4 47.9(3) . 2_646 ? OW4 OW1 O4 111.0(4) 4_566 2_646 ? Fe3 OW1 OH2 136.2(4) . . ? OW4 OW1 OH2 100.6(4) 4_566 . ? O4 OW1 OH2 126.0(4) 2_646 . ? Fe3 OW1 OW2 46.3(2) . . ? OW4 OW1 OW2 76.3(3) 4_566 . ? O4 OW1 OW2 60.1(3) 2_646 . ? OH2 OW1 OW2 173.9(5) . . ? Fe3 OW1 O9 43.5(2) . 2_645 ? OW4 OW1 O9 165.4(4) 4_566 2_645 ? O4 OW1 O9 63.7(3) 2_646 2_645 ? OH2 OW1 O9 92.9(3) . 2_645 ? OW2 OW1 O9 89.7(3) . 2_645 ? Fe3 OW1 O5 41.9(2) . . ? OW4 OW1 O5 113.9(4) 4_566 . ? O4 OW1 O5 89.8(3) 2_646 . ? OH2 OW1 O5 116.1(4) . . ? OW2 OW1 O5 61.4(3) . . ? O9 OW1 O5 54.3(3) 2_645 . ? Fe3 OW1 OW5 97.2(4) . 2_645 ? OW4 OW1 OW5 110.7(4) 4_566 2_645 ? O4 OW1 OW5 56.4(3) 2_646 2_645 ? OH2 OW1 OW5 72.1(3) . 2_645 ? OW2 OW1 OW5 113.9(4) . 2_645 ? O9 OW1 OW5 78.5(3) 2_645 2_645 ? O5 OW1 OW5 131.5(4) . 2_645 ? Fe3 OW1 OH1 101.5(3) . . ? OW4 OW1 OH1 112.2(4) 4_566 . ? O4 OW1 OH1 136.3(4) 2_646 . ? OH2 OW1 OH1 49.9(3) . . ? OW2 OW1 OH1 126.1(4) . . ? O9 OW1 OH1 72.8(3) 2_645 . ? O5 OW1 OH1 67.4(3) . . ? OW5 OW1 OH1 111.7(3) 2_645 . ? Fe3 OW1 OH3 2.54(17) . 3_656 ? OW4 OW1 OH3 122.0(4) 4_566 3_656 ? O4 OW1 OH3 45.4(2) 2_646 3_656 ? OH2 OW1 OH3 137.0(4) . 3_656 ? OW2 OW1 OH3 45.8(2) . 3_656 ? O9 OW1 OH3 44.1(2) 2_645 3_656 ? O5 OW1 OH3 44.4(2) . 3_656 ? OW5 OW1 OH3 95.2(3) 2_645 3_656 ? OH1 OW1 OH3 103.8(3) . 3_656 ? Fe3 OW1 Te1 51.0(2) . . ? OW4 OW1 Te1 133.9(4) 4_566 . ? O4 OW1 Te1 93.6(3) 2_646 . ? OH2 OW1 Te1 94.5(3) . . ? OW2 OW1 Te1 84.2(3) . . ? O9 OW1 Te1 38.39(19) 2_645 . ? O5 OW1 Te1 24.81(16) . . ? OW5 OW1 Te1 115.4(3) 2_645 . ? OH1 OW1 Te1 50.67(19) . . ? OH3 OW1 Te1 53.28(15) 3_656 . ? Fe3 OW1 OW3 86.8(3) . 2_645 ? OW4 OW1 OW3 145.6(4) 4_566 2_645 ? O4 OW1 OW3 73.8(3) 2_646 2_645 ? OH2 OW1 OW3 56.4(3) . 2_645 ? OW2 OW1 OW3 128.8(3) . 2_645 ? O9 OW1 OW3 48.1(2) 2_645 2_645 ? O5 OW1 OW3 99.9(3) . 2_645 ? OW5 OW1 OW3 42.0(3) 2_645 2_645 ? OH1 OW1 OW3 74.2(3) . 2_645 ? OH3 OW1 OW3 86.4(2) 3_656 2_645 ? Te1 OW1 OW3 77.4(2) . 2_645 ? Fe3 OW1 Te4 119.9(3) . . ? OW4 OW1 Te4 110.4(3) 4_566 . ? O4 OW1 Te4 132.9(3) 2_646 . ? OH2 OW1 Te4 23.11(19) . . ? OW2 OW1 Te4 153.2(3) . . ? O9 OW1 Te4 80.4(2) 2_645 . ? O5 OW1 Te4 93.1(3) . . ? OW5 OW1 Te4 88.6(3) 2_645 . ? OH1 OW1 Te4 27.07(16) . . ? OH3 OW1 Te4 121.5(2) 3_656 . ? Te1 OW1 Te4 72.62(15) . . ? OW3 OW1 Te4 59.42(17) 2_645 . ? Fe3 OW1 OW3 111.6(4) . 2_655 ? OW4 OW1 OW3 68.3(3) 4_566 2_655 ? O4 OW1 OW3 156.9(4) 2_646 2_655 ? OH2 OW1 OW3 75.3(3) . 2_655 ? OW2 OW1 OW3 98.6(3) . 2_655 ? O9 OW1 OW3 110.7(3) 2_645 2_655 ? O5 OW1 OW3 70.7(3) . 2_655 ? OW5 OW1 OW3 146.5(3) 2_645 2_655 ? OH1 OW1 OW3 47.4(2) . 2_655 ? OH3 OW1 OW3 113.9(3) 3_656 2_655 ? Te1 OW1 OW3 74.0(2) . 2_655 ? OW3 OW1 OW3 120.6(3) 2_645 2_655 ? Te4 OW1 OW3 62.72(19) . 2_655 ? Fe3 OW1 Te2 52.1(2) . 2_645 ? OW4 OW1 Te2 166.8(4) 4_566 2_645 ? O4 OW1 Te2 55.9(2) 2_646 2_645 ? OH2 OW1 Te2 87.4(3) . 2_645 ? OW2 OW1 Te2 96.6(3) . 2_645 ? O9 OW1 Te2 16.78(17) 2_645 2_645 ? O5 OW1 Te2 70.8(2) . 2_645 ? OW5 OW1 Te2 61.7(2) 2_645 2_645 ? OH1 OW1 Te2 81.0(2) . 2_645 ? OH3 OW1 Te2 51.83(15) 3_656 2_645 ? Te1 OW1 Te2 54.71(11) . 2_645 ? OW3 OW1 Te2 35.03(16) 2_645 2_645 ? Te4 OW1 Te2 80.93(15) . 2_645 ? OW3 OW1 Te2 124.2(2) 2_655 2_645 ? Fe3 OW1 OW5 119.1(3) . 2_655 ? OW4 OW1 OW5 32.9(3) 4_566 2_655 ? O4 OW1 OW5 136.7(3) 2_646 2_655 ? OH2 OW1 OW5 92.2(3) . 2_655 ? OW2 OW1 OW5 82.3(3) . 2_655 ? O9 OW1 OW5 142.3(3) 2_645 2_655 ? O5 OW1 OW5 90.3(3) . 2_655 ? OW5 OW1 OW5 138.2(4) 2_645 2_655 ? OH1 OW1 OW5 82.4(3) . 2_655 ? OH3 OW1 OW5 120.3(3) 3_656 2_655 ? Te1 OW1 OW5 103.9(2) . 2_655 ? OW3 OW1 OW5 148.3(3) 2_645 2_655 ? Te4 OW1 OW5 90.3(2) . 2_655 ? OW3 OW1 OW5 35.9(2) 2_655 2_655 ? Te2 OW1 OW5 158.5(3) 2_645 2_655 ? Fe3 OW1 OW5 148.7(4) . 4_566 ? OW4 OW1 OW5 31.4(3) 4_566 4_566 ? O4 OW1 OW5 113.9(3) 2_646 4_566 ? OH2 OW1 OW5 74.4(3) . 4_566 ? OW2 OW1 OW5 104.1(3) . 4_566 ? O9 OW1 OW5 162.6(3) 2_645 4_566 ? O5 OW1 OW5 142.1(3) . 4_566 ? OW5 OW1 OW5 86.2(3) 2_645 4_566 ? OH1 OW1 OW5 106.1(3) . 4_566 ? OH3 OW1 OW5 147.2(3) 3_656 4_566 ? Te1 OW1 OW5 151.9(3) . 4_566 ? OW3 OW1 OW5 114.5(3) 2_645 4_566 ? Te4 OW1 OW5 91.2(2) . 4_566 ? OW3 OW1 OW5 78.1(2) 2_655 4_566 ? Te2 OW1 OW5 146.9(3) 2_645 4_566 ? OW5 OW1 OW5 52.1(3) 2_655 4_566 ? Fe3 OW1 Te2 78.6(3) . 2_655 ? OW4 OW1 Te2 82.0(3) 4_566 2_655 ? O4 OW1 Te2 124.2(3) 2_646 2_655 ? OH2 OW1 Te2 102.1(3) . 2_655 ? OW2 OW1 Te2 72.4(2) . 2_655 ? O9 OW1 Te2 90.0(3) 2_645 2_655 ? O5 OW1 Te2 39.60(19) . 2_655 ? OW5 OW1 Te2 166.6(3) 2_645 2_655 ? OH1 OW1 Te2 57.6(2) . 2_655 ? OH3 OW1 Te2 80.87(19) 3_656 2_655 ? Te1 OW1 Te2 52.11(11) . 2_655 ? OW3 OW1 Te2 124.7(2) 2_645 2_655 ? Te4 OW1 Te2 82.70(16) . 2_655 ? OW3 OW1 Te2 33.29(15) 2_655 2_655 ? Te2 OW1 Te2 106.65(18) 2_645 2_655 ? OW5 OW1 Te2 52.42(17) 2_655 2_655 ? OW5 OW1 Te2 104.1(2) 4_566 2_655 ? Fe3 OW1 OW4 125.4(4) . 2_645 ? OW4 OW1 OW4 87.8(3) 4_566 2_645 ? O4 OW1 OW4 80.3(3) 2_646 2_645 ? OH2 OW1 OW4 57.8(3) . 2_645 ? OW2 OW1 OW4 126.8(3) . 2_645 ? O9 OW1 OW4 104.0(3) 2_645 2_645 ? O5 OW1 OW4 158.2(3) . 2_645 ? OW5 OW1 OW4 28.9(2) 2_645 2_645 ? OH1 OW1 OW4 107.0(3) . 2_645 ? OH3 OW1 OW4 123.2(3) 3_656 2_645 ? Te1 OW1 OW4 135.8(2) . 2_645 ? OW3 OW1 OW4 58.8(2) 2_645 2_645 ? Te4 OW1 OW4 79.93(18) . 2_645 ? OW3 OW1 OW4 122.2(2) 2_655 2_645 ? Te2 OW1 OW4 87.7(2) 2_645 2_645 ? OW5 OW1 OW4 110.2(2) 2_655 2_645 ? OW5 OW1 OW4 59.2(2) 4_566 2_645 ? Te2 OW1 OW4 155.4(2) 2_655 2_645 ? Fe3 OW1 OH2 116.0(3) . 3_656 ? OW4 OW1 OH2 52.2(3) 4_566 3_656 ? O4 OW1 OH2 73.5(3) 2_646 3_656 ? OH2 OW1 OH2 95.5(3) . 3_656 ? OW2 OW1 OH2 86.8(3) . 3_656 ? O9 OW1 OH2 132.1(3) 2_645 3_656 ? O5 OW1 OH2 148.2(3) . 3_656 ? OW5 OW1 OH2 60.0(3) 2_645 3_656 ? OH1 OW1 OH2 142.0(3) . 3_656 ? OH3 OW1 OH2 113.7(2) 3_656 3_656 ? Te1 OW1 OH2 166.8(2) . 3_656 ? OW3 OW1 OH2 101.0(2) 2_645 3_656 ? Te4 OW1 OH2 118.21(19) . 3_656 ? OW3 OW1 OH2 117.0(2) 2_655 3_656 ? Te2 OW1 OH2 117.1(2) 2_645 3_656 ? OW5 OW1 OH2 84.4(2) 2_655 3_656 ? OW5 OW1 OH2 40.56(18) 4_566 3_656 ? Te2 OW1 OH2 133.4(2) 2_655 3_656 ? OW4 OW1 OH2 46.19(16) 2_645 3_656 ? Fe3 OW2 O3 114.2(4) . 2_656 ? Fe3 OW2 O1 119.2(4) . . ? O3 OW2 O1 122.2(4) 2_656 . ? Fe3 OW2 O4 46.7(2) . 2_646 ? O3 OW2 O4 158.0(4) 2_656 2_646 ? O1 OW2 O4 73.1(3) . 2_646 ? Fe3 OW2 OW1 46.3(2) . . ? O3 OW2 OW1 101.9(4) 2_656 . ? O1 OW2 OW1 99.1(4) . . ? O4 OW2 OW1 57.8(3) 2_646 . ? Fe3 OW2 OH3 43.6(2) . 3_656 ? O3 OW2 OH3 115.1(4) 2_656 3_656 ? O1 OW2 OH3 118.1(4) . 3_656 ? O4 OW2 OH3 61.0(3) 2_646 3_656 ? OW1 OW2 OH3 89.8(3) . 3_656 ? Fe3 OW2 O5 41.7(2) . . ? O3 OW2 O5 73.1(3) 2_656 . ? O1 OW2 O5 158.5(4) . . ? O4 OW2 O5 88.3(3) 2_646 . ? OW1 OW2 O5 61.0(3) . . ? OH3 OW2 O5 57.9(3) 3_656 . ? Fe3 OW2 O1 144.4(4) . 2_656 ? O3 OW2 O1 45.7(3) 2_656 2_656 ? O1 OW2 O1 77.4(2) . 2_656 ? O4 OW2 O1 140.5(4) 2_646 2_656 ? OW1 OW2 O1 102.9(3) . 2_656 ? OH3 OW2 O1 158.5(4) 3_656 2_656 ? O5 OW2 O1 113.3(3) . 2_656 ? Fe3 OW2 OW4 95.3(3) . 4_566 ? O3 OW2 OW4 79.5(3) 2_656 4_566 ? O1 OW2 OW4 75.3(3) . 4_566 ? O4 OW2 OW4 90.7(3) 2_646 4_566 ? OW1 OW2 OW4 49.0(3) . 4_566 ? OH3 OW2 OW4 138.8(4) 3_656 4_566 ? O5 OW2 OW4 94.8(3) . 4_566 ? O1 OW2 OW4 56.4(3) 2_656 4_566 ? Fe3 OW2 S 134.0(3) . 2_656 ? O3 OW2 S 22.4(2) 2_656 2_656 ? O1 OW2 S 99.8(3) . 2_656 ? O4 OW2 S 161.2(4) 2_646 2_656 ? OW1 OW2 S 107.8(3) . 2_656 ? OH3 OW2 S 135.2(3) 3_656 2_656 ? O5 OW2 S 94.5(3) . 2_656 ? O1 OW2 S 24.04(17) 2_656 2_656 ? OW4 OW2 S 70.6(2) 4_566 2_656 ? Fe3 OW2 Te4 97.3(3) . 4_566 ? O3 OW2 Te4 51.7(2) 2_656 4_566 ? O1 OW2 Te4 134.6(3) . 4_566 ? O4 OW2 Te4 131.0(3) 2_646 4_566 ? OW1 OW2 Te4 126.2(3) . 4_566 ? OH3 OW2 Te4 70.0(2) 3_656 4_566 ? O5 OW2 Te4 66.1(2) . 4_566 ? O1 OW2 Te4 88.5(2) 2_656 4_566 ? OW4 OW2 Te4 130.5(3) 4_566 4_566 ? S OW2 Te4 66.32(15) 2_656 4_566 ? Fe3 OW2 O2 73.3(3) . 2_646 ? O3 OW2 O2 154.6(4) 2_656 2_646 ? O1 OW2 O2 65.9(3) . 2_646 ? O4 OW2 O2 42.4(2) 2_646 2_646 ? OW1 OW2 O2 100.1(3) . 2_646 ? OH3 OW2 O2 52.2(2) 3_656 2_646 ? O5 OW2 O2 107.3(3) . 2_646 ? O1 OW2 O2 139.2(3) 2_656 2_646 ? OW4 OW2 O2 125.1(3) 4_566 2_646 ? S OW2 O2 150.6(3) 2_656 2_646 ? Te4 OW2 O2 104.4(3) 4_566 2_646 ? Fe3 OW2 OH2 126.2(4) . 4_566 ? O3 OW2 OH2 54.4(3) 2_656 4_566 ? O1 OW2 OH2 104.8(3) . 4_566 ? O4 OW2 OH2 142.0(4) 2_646 4_566 ? OW1 OW2 OH2 153.0(4) . 4_566 ? OH3 OW2 OH2 89.8(3) 3_656 4_566 ? O5 OW2 OH2 96.4(3) . 4_566 ? O1 OW2 OH2 70.9(3) 2_656 4_566 ? OW4 OW2 OH2 126.2(3) 4_566 4_566 ? S OW2 OH2 56.16(18) 2_656 4_566 ? Te4 OW2 OH2 30.73(15) 4_566 4_566 ? O2 OW2 OH2 101.0(3) 2_646 4_566 ? Fe3 OW2 S 58.2(2) . 2_646 ? O3 OW2 S 170.3(3) 2_656 2_646 ? O1 OW2 S 67.3(3) . 2_646 ? O4 OW2 S 19.52(18) 2_646 2_646 ? OW1 OW2 S 77.3(3) . 2_646 ? OH3 OW2 S 55.4(2) 3_656 2_646 ? O5 OW2 S 98.4(3) . 2_646 ? O1 OW2 S 144.0(3) 2_656 2_646 ? OW4 OW2 S 106.3(3) 4_566 2_646 ? S OW2 S 167.0(3) 2_656 2_646 ? Te4 OW2 S 120.9(2) 4_566 2_646 ? O2 OW2 S 22.96(15) 2_646 2_646 ? OH2 OW2 S 123.6(3) 4_566 2_646 ? Fe3 OW2 S 127.9(3) . . ? O3 OW2 S 107.6(3) 2_656 . ? O1 OW2 S 16.4(2) . . ? O4 OW2 S 84.8(3) 2_646 . ? OW1 OW2 S 96.5(3) . . ? OH3 OW2 S 134.5(3) 3_656 . ? O5 OW2 S 156.4(3) . . ? O1 OW2 S 62.0(2) 2_656 . ? OW4 OW2 S 62.8(2) 4_566 . ? S OW2 S 85.29(18) 2_656 . ? Te4 OW2 S 133.6(2) 4_566 . ? O2 OW2 S 82.3(2) 2_646 . ? OH2 OW2 S 102.9(2) 4_566 . ? S OW2 S 82.16(17) 2_646 . ? Fe3 OW2 Te2 78.6(2) . 2_655 ? O3 OW2 Te2 36.2(2) 2_656 2_655 ? O1 OW2 Te2 147.0(3) . 2_655 ? O4 OW2 Te2 122.2(3) 2_646 2_655 ? OW1 OW2 Te2 72.3(2) . 2_655 ? OH3 OW2 Te2 94.1(2) 3_656 2_655 ? O5 OW2 Te2 39.62(18) . 2_655 ? O1 OW2 Te2 73.8(2) 2_656 2_655 ? OW4 OW2 Te2 75.5(2) 4_566 2_655 ? S OW2 Te2 55.69(12) 2_656 2_655 ? Te4 OW2 Te2 60.66(12) 4_566 2_655 ? O2 OW2 Te2 146.1(3) 2_646 2_655 ? OH2 OW2 Te2 80.7(2) 4_566 2_655 ? S OW2 Te2 136.7(2) 2_646 2_655 ? S OW2 Te2 130.7(2) . 2_655 ? Fe3 OW2 Te1 33.14(15) . . ? O3 OW2 Te1 82.2(2) 2_656 . ? O1 OW2 Te1 151.9(3) . . ? O4 OW2 Te1 79.8(2) 2_646 . ? OW1 OW2 Te1 59.2(2) . . ? OH3 OW2 Te1 50.49(19) 3_656 . ? O5 OW2 Te1 9.23(16) . . ? O1 OW2 Te1 122.3(3) 2_656 . ? OW4 OW2 Te1 98.3(2) 4_566 . ? S OW2 Te1 103.75(18) 2_656 . ? Te4 OW2 Te1 70.23(14) 4_566 . ? O2 OW2 Te1 98.4(2) 2_646 . ? OH2 OW2 Te1 101.0(2) 4_566 . ? S OW2 Te1 89.18(15) 2_646 . ? S OW2 Te1 155.5(2) . . ? Te2 OW2 Te1 48.79(8) 2_655 . ? Fe3 OW2 OW4 107.9(3) . 3_656 ? O3 OW2 OW4 134.1(3) 2_656 3_656 ? O1 OW2 OW4 39.8(3) . 3_656 ? O4 OW2 OW4 67.9(3) 2_646 3_656 ? OW1 OW2 OW4 120.6(3) . 3_656 ? OH3 OW2 OW4 83.6(3) 3_656 3_656 ? O5 OW2 OW4 141.4(3) . 3_656 ? O1 OW2 OW4 103.9(3) 2_656 3_656 ? OW4 OW2 OW4 114.6(2) 4_566 3_656 ? S OW2 OW4 117.9(2) 2_656 3_656 ? Te4 OW2 OW4 106.5(2) 4_566 3_656 ? O2 OW2 OW4 35.4(2) 2_646 3_656 ? OH2 OW2 OW4 86.2(2) 4_566 3_656 ? S OW2 OW4 51.06(16) 2_646 3_656 ? S OW2 OW4 54.57(16) . 3_656 ? Te2 OW2 OW4 166.7(2) 2_655 3_656 ? Te1 OW2 OW4 133.1(2) . 3_656 ? Fe3 OW2 OH1 94.7(3) . 4_566 ? O3 OW2 OH1 71.8(3) 2_656 4_566 ? O1 OW2 OH1 122.0(3) . 4_566 ? O4 OW2 OH1 115.5(3) 2_646 4_566 ? OW1 OW2 OH1 135.4(3) . 4_566 ? OH3 OW2 OH1 57.4(2) 3_656 4_566 ? O5 OW2 OH1 75.3(2) . 4_566 ? O1 OW2 OH1 102.2(3) 2_656 4_566 ? OW4 OW2 OH1 151.2(3) 4_566 4_566 ? S OW2 OH1 83.12(19) 2_656 4_566 ? Te4 OW2 OH1 21.05(11) 4_566 4_566 ? O2 OW2 OH1 83.7(2) 2_646 4_566 ? OH2 OW2 OH1 32.72(18) 4_566 4_566 ? S OW2 OH1 101.8(2) 2_646 4_566 ? S OW2 OH1 127.9(2) . 4_566 ? Te2 OW2 OH1 80.21(16) 2_655 4_566 ? Te1 OW2 OH1 76.30(16) . 4_566 ? OW4 OW2 OH1 87.6(2) 3_656 4_566 ? Fe3 OW2 OW5 140.9(3) . 1_556 ? O3 OW2 OW5 102.0(3) 2_656 1_556 ? O1 OW2 OW5 41.1(3) . 1_556 ? O4 OW2 OW5 99.6(3) 2_646 1_556 ? OW1 OW2 OW5 140.2(3) . 1_556 ? OH3 OW2 OW5 107.9(3) 3_656 1_556 ? O5 OW2 OW5 157.7(3) . 1_556 ? O1 OW2 OW5 73.1(2) 2_656 1_556 ? OW4 OW2 OW5 105.8(3) 4_566 1_556 ? S OW2 OW5 84.6(2) 2_656 1_556 ? Te4 OW2 OW5 93.6(2) 4_566 1_556 ? O2 OW2 OW5 67.7(2) 2_646 1_556 ? OH2 OW2 OW5 64.7(2) 4_566 1_556 ? S OW2 OW5 84.1(2) 2_646 1_556 ? S OW2 OW5 45.84(15) . 1_556 ? Te2 OW2 OW5 138.1(2) 2_655 1_556 ? Te1 OW2 OW5 155.9(2) . 1_556 ? OW4 OW2 OW5 33.22(19) 3_656 1_556 ? OH1 OW2 OW5 82.5(2) 4_566 1_556 ? Te2 OW3 OW5 99.4(4) . . ? Te2 OW3 O14 107.6(4) . 2_655 ? OW5 OW3 O14 119.6(5) . 2_655 ? Te2 OW3 O8 38.5(2) . . ? OW5 OW3 O8 135.2(5) . . ? O14 OW3 O8 75.9(3) 2_655 . ? Te2 OW3 O9 37.7(2) . . ? OW5 OW3 O9 83.9(4) . . ? O14 OW3 O9 86.2(3) 2_655 . ? O8 OW3 O9 53.8(3) . . ? Te2 OW3 O11 94.2(3) . 3_656 ? OW5 OW3 O11 166.1(5) . 3_656 ? O14 OW3 O11 57.6(3) 2_655 3_656 ? O8 OW3 O11 58.7(3) . 3_656 ? O9 OW3 O11 108.8(4) . 3_656 ? Te2 OW3 OH1 87.1(3) . 2_645 ? OW5 OW3 OH1 124.3(4) . 2_645 ? O14 OW3 OH1 110.3(4) 2_655 2_645 ? O8 OW3 OH1 78.1(3) . 2_645 ? O9 OW3 OH1 124.0(4) . 2_645 ? O11 OW3 OH1 53.5(3) 3_656 2_645 ? Te2 OW3 OH3 146.4(4) . . ? OW5 OW3 OH3 114.1(4) . . ? O14 OW3 OH3 54.8(3) 2_655 . ? O8 OW3 OH3 108.8(4) . . ? O9 OW3 OH3 141.0(4) . . ? O11 OW3 OH3 52.4(2) 3_656 . ? OH1 OW3 OH3 75.7(3) 2_645 . ? Te2 OW3 OH2 115.4(4) . 2_655 ? OW5 OW3 OH2 68.9(4) . 2_655 ? O14 OW3 OH2 50.8(3) 2_655 2_655 ? O8 OW3 OH2 109.7(4) . 2_655 ? O9 OW3 OH2 77.7(3) . 2_655 ? O11 OW3 OH2 107.5(3) 3_656 2_655 ? OH1 OW3 OH2 153.1(4) 2_645 2_655 ? OH3 OW3 OH2 77.5(3) . 2_655 ? Te2 OW3 O2 158.7(4) . 4_565 ? OW5 OW3 O2 66.0(3) . 4_565 ? O14 OW3 O2 70.2(3) 2_655 4_565 ? O8 OW3 O2 146.1(4) . 4_565 ? O9 OW3 O2 122.1(4) . 4_565 ? O11 OW3 O2 101.5(3) 3_656 4_565 ? OH1 OW3 O2 113.8(4) 2_645 4_565 ? OH3 OW3 O2 50.1(2) . 4_565 ? OH2 OW3 O2 46.1(2) 2_655 4_565 ? Te2 OW3 Fe2 117.4(3) . 4_565 ? OW5 OW3 Fe2 138.3(4) . 4_565 ? O14 OW3 Fe2 33.1(2) 2_655 4_565 ? O8 OW3 Fe2 78.9(3) . 4_565 ? O9 OW3 Fe2 113.0(3) . 4_565 ? O11 OW3 Fe2 31.87(16) 3_656 4_565 ? OH1 OW3 Fe2 78.9(3) 2_645 4_565 ? OH3 OW3 Fe2 31.65(16) . 4_565 ? OH2 OW3 Fe2 77.6(2) 2_655 4_565 ? O2 OW3 Fe2 73.0(2) 4_565 4_565 ? Te2 OW3 Te4 111.3(3) . 2_655 ? OW5 OW3 Te4 96.9(4) . 2_655 ? O14 OW3 Te4 22.97(18) 2_655 2_655 ? O8 OW3 Te4 89.6(3) . 2_655 ? O9 OW3 Te4 79.4(3) . 2_655 ? O11 OW3 Te4 80.5(2) 3_656 2_655 ? OH1 OW3 Te4 132.0(3) 2_645 2_655 ? OH3 OW3 Te4 64.8(2) . 2_655 ? OH2 OW3 Te4 28.03(16) 2_655 2_655 ? O2 OW3 Te4 58.4(2) 4_565 2_655 ? Fe2 OW3 Te4 53.16(13) 4_565 2_655 ? Te2 OW3 OW1 79.8(3) . 2_655 ? OW5 OW3 OW1 52.1(3) . 2_655 ? O14 OW3 OW1 80.7(3) 2_655 2_655 ? O8 OW3 OW1 95.6(3) . 2_655 ? O9 OW3 OW1 44.7(2) . 2_655 ? O11 OW3 OW1 134.1(3) 3_656 2_655 ? OH1 OW3 OW1 165.1(4) 2_645 2_655 ? OH3 OW3 OW1 119.2(3) . 2_655 ? OH2 OW3 OW1 41.7(2) 2_655 2_655 ? O2 OW3 OW1 78.9(3) 4_565 2_655 ? Fe2 OW3 OW1 113.4(3) 4_565 2_655 ? Te4 OW3 OW1 60.56(19) 2_655 2_655 ? Te2 OW3 OW4 93.6(3) . 3_655 ? OW5 OW3 OW4 41.5(3) . 3_655 ? O14 OW3 OW4 155.1(4) 2_655 3_655 ? O8 OW3 OW4 128.5(3) . 3_655 ? O9 OW3 OW4 104.0(3) . 3_655 ? O11 OW3 OW4 135.3(4) 3_656 3_655 ? OH1 OW3 OW4 83.1(3) 2_645 3_655 ? OH3 OW3 OW4 112.2(3) . 3_655 ? OH2 OW3 OW4 108.4(3) 2_655 3_655 ? O2 OW3 OW4 85.2(3) 4_565 3_655 ? Fe2 OW3 OW4 142.9(3) 4_565 3_655 ? Te4 OW3 OW4 135.8(3) 2_655 3_655 ? OW1 OW3 OW4 90.6(3) 2_655 3_655 ? Te2 OW3 OW1 80.8(2) . 2_645 ? OW5 OW3 OW1 77.0(3) . 2_645 ? O14 OW3 OW1 158.5(4) 2_655 2_645 ? O8 OW3 OW1 102.5(3) . 2_645 ? O9 OW3 OW1 110.5(3) . 2_645 ? O11 OW3 OW1 102.8(3) 3_656 2_645 ? OH1 OW3 OW1 49.4(2) 2_645 2_645 ? OH3 OW3 OW1 107.4(3) . 2_645 ? OH2 OW3 OW1 144.0(3) 2_655 2_645 ? O2 OW3 OW1 109.1(3) 4_565 2_645 ? Fe2 OW3 OW1 125.4(3) 4_565 2_645 ? Te4 OW3 OW1 167.4(3) 2_655 2_645 ? OW1 OW3 OW1 120.6(3) 2_655 2_645 ? OW4 OW3 OW1 35.93(19) 3_655 2_645 ? Te2 OW3 Te4 110.1(3) . 2_645 ? OW5 OW3 Te4 117.6(4) . 2_645 ? O14 OW3 Te4 102.1(3) 2_655 2_645 ? O8 OW3 Te4 96.6(3) . 2_645 ? O9 OW3 Te4 146.7(3) . 2_645 ? O11 OW3 Te4 54.1(2) 3_656 2_645 ? OH1 OW3 Te4 23.00(17) 2_645 2_645 ? OH3 OW3 Te4 56.1(2) . 2_645 ? OH2 OW3 Te4 132.2(3) 2_655 2_645 ? O2 OW3 Te4 90.8(3) 4_565 2_645 ? Fe2 OW3 Te4 69.02(18) 4_565 2_645 ? Te4 OW3 Te4 119.3(2) 2_655 2_645 ? OW1 OW3 Te4 167.8(3) 2_655 2_645 ? OW4 OW3 Te4 82.0(2) 3_655 2_645 ? OW1 OW3 Te4 56.49(18) 2_645 2_645 ? Te2 OW3 OH2 109.6(3) . 2_645 ? OW5 OW3 OH2 93.9(4) . 2_645 ? O14 OW3 OH2 123.8(4) 2_655 2_645 ? O8 OW3 OH2 112.2(3) . 2_645 ? O9 OW3 OH2 145.2(3) . 2_645 ? O11 OW3 OH2 78.9(3) 3_656 2_645 ? OH1 OW3 OH2 34.6(2) 2_645 2_645 ? OH3 OW3 OH2 71.1(3) . 2_645 ? OH2 OW3 OH2 133.7(4) 2_655 2_645 ? O2 OW3 OH2 87.6(3) 4_565 2_645 ? Fe2 OW3 OH2 91.7(3) 4_565 2_645 ? Te4 OW3 OH2 135.1(3) 2_655 2_645 ? OW1 OW3 OH2 146.0(3) 2_655 2_645 ? OW4 OW3 OH2 57.0(2) 3_655 2_645 ? OW1 OW3 OH2 36.40(17) 2_645 2_645 ? Te4 OW3 OH2 24.94(12) 2_645 2_645 ? Te2 OW3 OH1 87.5(3) . 2_655 ? OW5 OW3 OH1 93.3(4) . 2_655 ? O14 OW3 OH1 37.7(2) 2_655 2_655 ? O8 OW3 OH1 74.7(3) . 2_655 ? O9 OW3 OH1 54.3(2) . 2_655 ? O11 OW3 OH1 89.9(3) 3_656 2_655 ? OH1 OW3 OH1 142.4(4) 2_645 2_655 ? OH3 OW3 OH1 89.0(3) . 2_655 ? OH2 OW3 OH1 35.0(2) 2_655 2_655 ? O2 OW3 OH1 78.4(3) 4_565 2_655 ? Fe2 OW3 OH1 70.77(19) 4_565 2_655 ? Te4 OW3 OH1 25.10(12) 2_655 2_655 ? OW1 OW3 OH1 44.7(2) 2_655 2_655 ? OW4 OW3 OH1 134.4(3) 3_655 2_655 ? OW1 OW3 OH1 163.3(3) 2_645 2_655 ? Te4 OW3 OH1 139.8(3) 2_645 2_655 ? OH2 OW3 OH1 160.0(3) 2_645 2_655 ? Te2 OW3 OW4 132.5(4) . . ? OW5 OW3 OW4 33.3(3) . . ? O14 OW3 OW4 104.4(3) 2_655 . ? O8 OW3 OW4 166.8(4) . . ? O9 OW3 OW4 113.1(3) . . ? O11 OW3 OW4 132.9(3) 3_656 . ? OH1 OW3 OW4 113.4(3) 2_645 . ? OH3 OW3 OW4 81.1(3) . . ? OH2 OW3 OW4 63.0(2) 2_655 . ? O2 OW3 OW4 36.6(2) 4_565 . ? Fe2 OW3 OW4 108.7(2) 4_565 . ? Te4 OW3 OW4 86.8(2) 2_655 . ? OW1 OW3 OW4 71.6(2) 2_655 . ? OW4 OW3 OW4 50.7(3) 3_655 . ? OW1 OW3 OW4 82.1(2) 2_645 . ? Te4 OW3 OW4 96.2(2) 2_645 . ? OH2 OW3 OW4 78.9(2) 2_645 . ? OH1 OW3 OW4 97.3(3) 2_655 . ? Te2 OW3 Te3 73.9(2) . 4_665 ? OW5 OW3 Te3 143.2(4) . 4_665 ? O14 OW3 Te3 37.8(2) 2_655 4_665 ? O8 OW3 Te3 38.37(19) . 4_665 ? O9 OW3 Te3 68.7(2) . 4_665 ? O11 OW3 Te3 44.32(19) 3_656 4_665 ? OH1 OW3 Te3 91.9(3) 2_645 4_665 ? OH3 OW3 Te3 78.1(2) . 4_665 ? OH2 OW3 Te3 81.2(2) 2_655 4_665 ? O2 OW3 Te3 107.9(3) 4_565 4_665 ? Fe2 OW3 Te3 46.47(12) 4_565 4_665 ? Te4 OW3 Te3 55.27(12) 2_655 4_665 ? OW1 OW3 Te3 91.2(2) 2_655 4_665 ? OW4 OW3 Te3 166.9(3) 3_655 4_665 ? OW1 OW3 Te3 134.8(3) 2_645 4_665 ? Te4 OW3 Te3 98.2(2) 2_645 4_665 ? OH2 OW3 Te3 122.7(3) 2_645 4_665 ? OH1 OW3 Te3 50.93(15) 2_655 4_665 ? OW4 OW3 Te3 141.7(2) . 4_665 ? OW1 OW4 O2 115.9(5) 4_565 4_565 ? OW1 OW4 OW5 119.0(5) 4_565 . ? O2 OW4 OW5 78.4(4) 4_565 . ? OW1 OW4 OW5 116.2(5) 4_565 3_655 ? O2 OW4 OW5 123.8(5) 4_565 3_655 ? OW5 OW4 OW5 93.9(4) . 3_655 ? OW1 OW4 O1 113.1(4) 4_565 3_656 ? O2 OW4 O1 72.3(3) 4_565 3_656 ? OW5 OW4 O1 127.2(4) . 3_656 ? OW5 OW4 O1 69.2(4) 3_655 3_656 ? OW1 OW4 OW2 54.7(3) 4_565 4_565 ? O2 OW4 OW2 84.0(3) 4_565 4_565 ? OW5 OW4 OW2 155.3(5) . 4_565 ? OW5 OW4 OW2 110.3(4) 3_655 4_565 ? O1 OW4 OW2 61.4(3) 3_656 4_565 ? OW1 OW4 OW4 132.8(5) 4_565 3_655 ? O2 OW4 OW4 105.1(4) 4_565 3_655 ? OW5 OW4 OW4 47.0(3) . 3_655 ? OW5 OW4 OW4 46.9(3) 3_655 3_655 ? O1 OW4 OW4 100.5(4) 3_656 3_655 ? OW2 OW4 OW4 156.8(5) 4_565 3_655 ? OW1 OW4 S 102.0(3) 4_565 4_565 ? O2 OW4 S 19.3(2) 4_565 4_565 ? OW5 OW4 S 96.9(4) . 4_565 ? OW5 OW4 S 128.2(4) 3_655 4_565 ? O1 OW4 S 64.1(2) 3_656 4_565 ? OW2 OW4 S 64.7(2) 4_565 4_565 ? OW4 OW4 S 122.8(4) 3_655 4_565 ? OW1 OW4 S 100.9(3) 4_565 3_656 ? O2 OW4 S 90.8(3) 4_565 3_656 ? OW5 OW4 S 139.5(4) . 3_656 ? OW5 OW4 S 60.0(3) 3_655 3_656 ? O1 OW4 S 19.18(18) 3_656 3_656 ? OW2 OW4 S 57.0(2) 4_565 3_656 ? OW4 OW4 S 100.9(4) 3_655 3_656 ? S OW4 S 80.24(19) 4_565 3_656 ? OW1 OW4 Fe3 24.9(2) 4_565 4_565 ? O2 OW4 Fe3 103.2(3) 4_565 4_565 ? OW5 OW4 Fe3 140.6(4) . 4_565 ? OW5 OW4 Fe3 115.4(4) 3_655 4_565 ? O1 OW4 Fe3 89.2(3) 3_656 4_565 ? OW2 OW4 Fe3 29.82(15) 4_565 4_565 ? OW4 OW4 Fe3 151.7(4) 3_655 4_565 ? S OW4 Fe3 85.4(2) 4_565 4_565 ? S OW4 Fe3 79.78(18) 3_656 4_565 ? OW1 OW4 OH2 41.0(3) 4_565 4_565 ? O2 OW4 OH2 131.6(4) 4_565 4_565 ? OW5 OW4 OH2 83.7(4) . 4_565 ? OW5 OW4 OH2 101.8(4) 3_655 4_565 ? O1 OW4 OH2 147.3(4) 3_656 4_565 ? OW2 OW4 OH2 95.5(3) 4_565 4_565 ? OW4 OW4 OH2 94.0(4) 3_655 4_565 ? S OW4 OH2 129.6(3) 4_565 4_565 ? S OW4 OH2 129.0(3) 3_656 4_565 ? Fe3 OW4 OH2 65.73(19) 4_565 4_565 ? OW1 OW4 OW3 75.7(3) 4_565 3_655 ? O2 OW4 OW3 162.5(4) 4_565 3_655 ? OW5 OW4 OW3 108.1(4) . 3_655 ? OW5 OW4 OW3 41.2(3) 3_655 3_655 ? O1 OW4 OW3 91.4(3) 3_656 3_655 ? OW2 OW4 OW3 93.8(3) 4_565 3_655 ? OW4 OW4 OW3 71.1(3) 3_655 3_655 ? S OW4 OW3 152.7(3) 4_565 3_655 ? S OW4 OW3 73.6(2) 3_656 3_655 ? Fe3 OW4 OW3 82.2(2) 4_565 3_655 ? OH2 OW4 OW3 65.8(2) 4_565 3_655 ? OW1 OW4 OH2 99.3(4) 4_565 2_655 ? O2 OW4 OH2 37.8(3) 4_565 2_655 ? OW5 OW4 OH2 55.0(3) . 2_655 ? OW5 OW4 OH2 142.0(4) 3_655 2_655 ? O1 OW4 OH2 110.1(3) 3_656 2_655 ? OW2 OW4 OH2 100.8(3) 4_565 2_655 ? OW4 OW4 OH2 99.1(4) 3_655 2_655 ? S OW4 OH2 49.08(17) 4_565 2_655 ? S OW4 OH2 128.3(3) 3_656 2_655 ? Fe3 OW4 OH2 102.4(2) 4_565 2_655 ? OH2 OW4 OH2 96.2(3) 4_565 2_655 ? OW3 OW4 OH2 158.0(3) 3_655 2_655 ? OW1 OW4 OW3 141.0(4) 4_565 . ? O2 OW4 OW3 49.9(3) 4_565 . ? OW5 OW4 OW3 33.2(3) . . ? OW5 OW4 OW3 96.7(4) 3_655 . ? O1 OW4 OW3 97.3(3) 3_656 . ? OW2 OW4 OW3 133.9(3) 4_565 . ? OW4 OW4 OW3 58.2(3) 3_655 . ? S OW4 OW3 69.2(2) 4_565 . ? S OW4 OW3 114.1(3) 3_656 . ? Fe3 OW4 OW3 147.3(3) 4_565 . ? OH2 OW4 OW3 115.2(3) 4_565 . ? OW3 OW4 OW3 129.3(3) 3_655 . ? OH2 OW4 OW3 45.3(2) 2_655 . ? OW1 OW4 OW2 140.3(4) 4_565 3_656 ? O2 OW4 OW2 49.1(3) 4_565 3_656 ? OW5 OW4 OW2 95.5(4) . 3_656 ? OW5 OW4 OW2 77.1(3) 3_655 3_656 ? O1 OW4 OW2 33.2(2) 3_656 3_656 ? OW2 OW4 OW2 85.7(2) 4_565 3_656 ? OW4 OW4 OW2 84.6(3) 3_655 3_656 ? S OW4 OW2 51.57(16) 4_565 3_656 ? S OW4 OW2 51.24(16) 3_656 3_656 ? Fe3 OW4 OW2 115.5(2) 4_565 3_656 ? OH2 OW4 OW2 178.6(3) 4_565 3_656 ? OW3 OW4 OW2 113.5(3) 3_655 3_656 ? OH2 OW4 OW2 84.2(2) 2_655 3_656 ? OW3 OW4 OW2 64.2(2) . 3_656 ? OW1 OW4 OW5 38.9(3) 4_565 3_665 ? O2 OW4 OW5 88.6(3) 4_565 3_665 ? OW5 OW4 OW5 87.9(4) . 3_665 ? OW5 OW4 OW5 147.3(4) 3_655 3_665 ? O1 OW4 OW5 133.0(3) 3_656 3_665 ? OW2 OW4 OW5 74.5(3) 4_565 3_665 ? OW4 OW4 OW5 126.2(4) 3_655 3_665 ? S OW4 OW5 83.7(2) 4_565 3_665 ? S OW4 OW5 131.2(3) 3_656 3_665 ? Fe3 OW4 OW5 53.15(17) 4_565 3_665 ? OH2 OW4 OW5 45.9(2) 4_565 3_665 ? OW3 OW4 OW5 107.5(3) 3_655 3_665 ? OH2 OW4 OW5 61.6(2) 2_655 3_665 ? OW3 OW4 OW5 102.2(3) . 3_665 ? OW2 OW4 OW5 135.3(3) 3_656 3_665 ? OW1 OW4 OH1 38.4(3) 4_565 4_565 ? O2 OW4 OH1 154.1(4) 4_565 4_565 ? OW5 OW4 OH1 109.2(4) . 4_565 ? OW5 OW4 OH1 81.3(3) 3_655 4_565 ? O1 OW4 OH1 116.4(3) 3_656 4_565 ? OW2 OW4 OH1 80.1(2) 4_565 4_565 ? OW4 OW4 OH1 97.4(3) 3_655 4_565 ? S OW4 OH1 139.6(3) 4_565 4_565 ? S OW4 OH1 97.5(2) 3_656 4_565 ? Fe3 OW4 OH1 54.83(16) 4_565 4_565 ? OH2 OW4 OH1 31.87(17) 4_565 4_565 ? OW3 OW4 OH1 40.2(2) 3_655 4_565 ? OH2 OW4 OH1 126.3(3) 2_655 4_565 ? OW3 OW4 OH1 142.3(3) . 4_565 ? OW2 OW4 OH1 148.1(3) 3_656 4_565 ? OW5 OW4 OH1 67.4(2) 3_665 4_565 ? OW1 OW4 Te2 66.9(3) 4_565 3_655 ? O2 OW4 Te2 138.8(4) 4_565 3_655 ? OW5 OW4 Te2 139.0(4) . 3_655 ? OW5 OW4 Te2 54.2(3) 3_655 3_655 ? O1 OW4 Te2 69.8(2) 3_656 3_655 ? OW2 OW4 Te2 64.1(2) 4_565 3_655 ? OW4 OW4 Te2 97.1(4) 3_655 3_655 ? S OW4 Te2 122.6(2) 4_565 3_655 ? S OW4 Te2 50.60(13) 3_656 3_655 ? Fe3 OW4 Te2 61.21(14) 4_565 3_655 ? OH2 OW4 Te2 79.5(2) 4_565 3_655 ? OW3 OW4 Te2 31.03(16) 3_655 3_655 ? OH2 OW4 Te2 163.5(3) 2_655 3_655 ? OW3 OW4 Te2 150.6(3) . 3_655 ? OW2 OW4 Te2 100.5(2) 3_656 3_655 ? OW5 OW4 Te2 105.8(2) 3_665 3_655 ? OH1 OW4 Te2 47.65(14) 4_565 3_655 ? OW1 OW4 OW1 92.2(3) 4_565 2_655 ? O2 OW4 OW1 69.2(3) 4_565 2_655 ? OW5 OW4 OW1 34.6(3) . 2_655 ? OW5 OW4 OW1 127.4(4) 3_655 2_655 ? O1 OW4 OW1 140.4(3) 3_656 2_655 ? OW2 OW4 OW1 122.2(3) 4_565 2_655 ? OW4 OW4 OW1 81.0(3) 3_655 2_655 ? S OW4 OW1 81.7(2) 4_565 2_655 ? S OW4 OW1 159.5(3) 3_656 2_655 ? Fe3 OW4 OW1 108.3(2) 4_565 2_655 ? OH2 OW4 OW1 70.6(2) 4_565 2_655 ? OW3 OW4 OW1 125.4(3) 3_655 2_655 ? OH2 OW4 OW1 32.63(16) 2_655 2_655 ? OW3 OW4 OW1 49.6(2) . 2_655 ? OW2 OW4 OW1 109.3(2) 3_656 2_655 ? OW5 OW4 OW1 55.4(2) 3_665 2_655 ? OH1 OW4 OW1 102.4(2) 4_565 2_655 ? Te2 OW4 OW1 149.8(2) 3_655 2_655 ? OW1 OW4 OH3 138.3(4) 4_565 . ? O2 OW4 OH3 22.6(2) 4_565 . ? OW5 OW4 OH3 72.1(3) . . ? OW5 OW4 OH3 101.8(3) 3_655 . ? O1 OW4 OH3 63.9(2) 3_656 . ? OW2 OW4 OH3 97.4(3) 4_565 . ? OW4 OW4 OH3 85.7(3) 3_655 . ? S OW4 OH3 37.18(13) 4_565 . ? S OW4 OH3 82.99(19) 3_656 . ? Fe3 OW4 OH3 122.2(2) 4_565 . ? OH2 OW4 OH3 147.0(3) 4_565 . ? OW3 OW4 OH3 142.7(3) 3_655 . ? OH2 OW4 OH3 51.65(18) 2_655 . ? OW3 OW4 OH3 39.11(17) . . ? OW2 OW4 OH3 33.10(14) 3_656 . ? OW5 OW4 OH3 109.7(2) 3_665 . ? OH1 OW4 OH3 176.6(3) 4_565 . ? Te2 OW4 OH3 133.3(2) 3_655 . ? OW1 OW4 OH3 76.81(19) 2_655 . ? OW3 OW5 OW4 113.6(5) . . ? OW3 OW5 OW4 97.3(5) . 3_655 ? OW4 OW5 OW4 86.1(4) . 3_655 ? OW3 OW5 O4 98.2(4) . 1_554 ? OW4 OW5 O4 146.1(5) . 1_554 ? OW4 OW5 O4 101.8(4) 3_655 1_554 ? OW3 OW5 OW1 85.9(4) . 2_655 ? OW4 OW5 OW1 116.5(5) . 2_655 ? OW4 OW5 OW1 153.9(5) 3_655 2_655 ? O4 OW5 OW1 52.2(3) 1_554 2_655 ? OW3 OW5 O1 118.2(4) . 1_554 ? OW4 OW5 O1 120.7(4) . 1_554 ? OW4 OW5 O1 61.0(3) 3_655 1_554 ? O4 OW5 O1 44.4(3) 1_554 1_554 ? OW1 OW5 O1 94.5(3) 2_655 1_554 ? OW3 OW5 O2 67.8(3) . 4_565 ? OW4 OW5 O2 50.7(3) . 4_565 ? OW4 OW5 O2 112.6(4) 3_655 4_565 ? O4 OW5 O2 143.9(4) 1_554 4_565 ? OW1 OW5 O2 92.7(3) 2_655 4_565 ? O1 OW5 O2 170.9(4) 1_554 4_565 ? OW3 OW5 S 100.9(4) . 1_554 ? OW4 OW5 S 143.5(4) . 1_554 ? OW4 OW5 S 77.6(3) 3_655 1_554 ? O4 OW5 S 24.14(18) 1_554 1_554 ? OW1 OW5 S 76.3(3) 2_655 1_554 ? O1 OW5 S 24.05(18) 1_554 1_554 ? O2 OW5 S 165.0(4) 4_565 1_554 ? OW3 OW5 OH2 64.9(3) . 2_655 ? OW4 OW5 OH2 85.6(4) . 2_655 ? OW4 OW5 OH2 155.0(5) 3_655 2_655 ? O4 OW5 OH2 98.3(4) 1_554 2_655 ? OW1 OW5 OH2 47.6(2) 2_655 2_655 ? O1 OW5 OH2 142.0(4) 1_554 2_655 ? O2 OW5 OH2 45.7(2) 4_565 2_655 ? S OW5 OH2 121.3(3) 1_554 2_655 ? OW3 OW5 OW5 111.1(5) . 3_655 ? OW4 OW5 OW5 43.1(3) . 3_655 ? OW4 OW5 OW5 43.0(3) 3_655 3_655 ? O4 OW5 OW5 135.0(5) 1_554 3_655 ? OW1 OW5 OW5 156.9(5) 2_655 3_655 ? O1 OW5 OW5 91.0(4) 1_554 3_655 ? O2 OW5 OW5 80.3(3) 4_565 3_655 ? S OW5 OW5 113.8(4) 1_554 3_655 ? OH2 OW5 OW5 124.6(4) 2_655 3_655 ? OW3 OW5 Fe3 80.0(3) . 2_655 ? OW4 OW5 Fe3 145.7(4) . 2_655 ? OW4 OW5 Fe3 124.8(4) 3_655 2_655 ? O4 OW5 Fe3 27.78(19) 1_554 2_655 ? OW1 OW5 Fe3 30.10(17) 2_655 2_655 ? O1 OW5 Fe3 72.0(2) 1_554 2_655 ? O2 OW5 Fe3 116.7(3) 4_565 2_655 ? S OW5 Fe3 49.74(14) 1_554 2_655 ? OH2 OW5 Fe3 71.6(2) 2_655 2_655 ? OW5 OW5 Fe3 162.8(5) 3_655 2_655 ? OW3 OW5 Te2 38.9(3) . . ? OW4 OW5 Te2 152.0(4) . . ? OW4 OW5 Te2 92.4(4) 3_655 . ? O4 OW5 Te2 61.4(3) 1_554 . ? OW1 OW5 Te2 73.8(3) 2_655 . ? O1 OW5 Te2 82.0(3) 1_554 . ? O2 OW5 Te2 105.3(3) 4_565 . ? S OW5 Te2 62.20(17) 1_554 . ? OH2 OW5 Te2 84.1(3) 2_655 . ? OW5 OW5 Te2 129.2(4) 3_655 . ? Fe3 OW5 Te2 52.22(13) 2_655 . ? OW3 OW5 OW1 67.1(3) . 2_645 ? OW4 OW5 OW1 103.7(4) . 2_645 ? OW4 OW5 OW1 30.9(3) 3_655 2_645 ? O4 OW5 OW1 99.1(3) 1_554 2_645 ? OW1 OW5 OW1 138.2(4) 2_655 2_645 ? O1 OW5 OW1 73.2(3) 1_554 2_645 ? O2 OW5 OW1 104.8(3) 4_565 2_645 ? S OW5 OW1 78.2(2) 1_554 2_645 ? OH2 OW5 OW1 130.6(3) 2_655 2_645 ? OW5 OW5 OW1 64.8(3) 3_655 2_645 ? Fe3 OW5 OW1 110.6(3) 2_655 2_645 ? Te2 OW5 OW1 65.1(2) . 2_645 ? OW3 OW5 OW1 134.3(4) . 4_565 ? OW4 OW5 OW1 29.6(3) . 4_565 ? OW4 OW5 OW1 102.0(4) 3_655 4_565 ? O4 OW5 OW1 117.4(4) 1_554 4_565 ? OW1 OW5 OW1 93.8(3) 2_655 4_565 ? O1 OW5 OW1 107.4(3) 1_554 4_565 ? O2 OW5 OW1 66.5(3) 4_565 4_565 ? S OW5 OW1 123.5(3) 1_554 4_565 ? OH2 OW5 OW1 81.5(3) 2_655 4_565 ? OW5 OW5 OW1 63.1(3) 3_655 4_565 ? Fe3 OW5 OW1 119.0(3) 2_655 4_565 ? Te2 OW5 OW1 165.3(3) . 4_565 ? OW1 OW5 OW1 127.9(3) 2_645 4_565 ? OW3 OW5 OH2 163.1(4) . 4_565 ? OW4 OW5 OH2 60.7(3) . 4_565 ? OW4 OW5 OH2 98.0(4) 3_655 4_565 ? O4 OW5 OH2 85.5(3) 1_554 4_565 ? OW1 OW5 OH2 83.4(3) 2_655 4_565 ? O1 OW5 OH2 75.8(3) 1_554 4_565 ? O2 OW5 OH2 99.6(3) 4_565 4_565 ? S OW5 OH2 89.3(2) 1_554 4_565 ? OH2 OW5 OH2 98.3(3) 2_655 4_565 ? OW5 OW5 OH2 76.2(3) 3_655 4_565 ? Fe3 OW5 OH2 96.8(2) 2_655 4_565 ? Te2 OW5 OH2 146.7(3) . 4_565 ? OW1 OW5 OH2 128.8(3) 2_645 4_565 ? OW1 OW5 OH2 34.33(16) 4_565 4_565 ? OW3 OW5 OW4 113.1(4) . 3_665 ? OW4 OW5 OW4 92.1(4) . 3_665 ? OW4 OW5 OW4 147.3(4) 3_655 3_665 ? O4 OW5 OW4 63.6(3) 1_554 3_665 ? OW1 OW5 OW4 30.4(2) 2_655 3_665 ? O1 OW5 OW4 92.8(3) 1_554 3_665 ? O2 OW5 OW4 90.6(3) 4_565 3_665 ? S OW5 OW4 84.9(2) 1_554 3_665 ? OH2 OW5 OW4 56.6(2) 2_655 3_665 ? OW5 OW5 OW4 127.0(4) 3_655 3_665 ? Fe3 OW5 OW4 54.02(18) 2_655 3_665 ? Te2 OW5 OW4 103.6(2) . 3_665 ? OW1 OW5 OW4 162.7(3) 2_645 3_665 ? OW1 OW5 OW4 65.4(2) 4_565 3_665 ? OH2 OW5 OW4 53.9(2) 4_565 3_665 ? OW3 OW5 OW2 150.0(4) . 1_554 ? OW4 OW5 OW2 93.0(4) . 1_554 ? OW4 OW5 OW2 69.7(3) 3_655 1_554 ? O4 OW5 OW2 60.4(3) 1_554 1_554 ? OW1 OW5 OW2 94.8(3) 2_655 1_554 ? O1 OW5 OW2 31.8(2) 1_554 1_554 ? O2 OW5 OW2 141.9(3) 4_565 1_554 ? S OW5 OW2 50.76(18) 1_554 1_554 ? OH2 OW5 OW2 134.3(3) 2_655 1_554 ? OW5 OW5 OW2 78.4(3) 3_655 1_554 ? Fe3 OW5 OW2 85.6(2) 2_655 1_554 ? Te2 OW5 OW2 112.7(2) . 1_554 ? OW1 OW5 OW2 94.1(2) 2_645 1_554 ? OW1 OW5 OW2 75.7(2) 4_565 1_554 ? OH2 OW5 OW2 44.60(17) 4_565 1_554 ? OW4 OW5 OW2 77.8(2) 3_665 1_554 ? OW3 OW5 OW2 84.5(3) . 2_645 ? OW4 OW5 OW2 124.7(4) . 2_645 ? OW4 OW5 OW2 38.8(3) 3_655 2_645 ? O4 OW5 OW2 67.7(3) 1_554 2_645 ? OW1 OW5 OW2 116.6(3) 2_655 2_645 ? O1 OW5 OW2 41.1(2) 1_554 2_645 ? O2 OW5 OW2 138.3(3) 4_565 2_645 ? S OW5 OW2 45.00(16) 1_554 2_645 ? OH2 OW5 OW2 144.6(3) 2_655 2_645 ? OW5 OW5 OW2 81.7(3) 3_655 2_645 ? Fe3 OW5 OW2 86.6(2) 2_655 2_645 ? Te2 OW5 OW2 60.51(17) . 2_645 ? OW1 OW5 OW2 33.78(16) 2_645 2_645 ? OW1 OW5 OW2 133.9(3) 4_565 2_645 ? OH2 OW5 OW2 112.0(3) 4_565 2_645 ? OW4 OW5 OW2 129.8(3) 3_665 2_645 ? OW2 OW5 OW2 68.38(19) 1_554 2_645 ? OW3 OW5 OW2 102.0(4) . 2_655 ? OW4 OW5 OW2 129.4(4) . 2_655 ? OW4 OW5 OW2 124.7(4) 3_655 2_655 ? O4 OW5 OW2 24.7(2) 1_554 2_655 ? OW1 OW5 OW2 30.5(2) 2_655 2_655 ? O1 OW5 OW2 64.2(2) 1_554 2_655 ? O2 OW5 OW2 122.6(3) 4_565 2_655 ? S OW5 OW2 48.13(16) 1_554 2_655 ? OH2 OW5 OW2 78.0(3) 2_655 2_655 ? OW5 OW5 OW2 145.5(4) 3_655 2_655 ? Fe3 OW5 OW2 22.28(11) 2_655 2_655 ? Te2 OW5 OW2 73.36(18) . 2_655 ? OW1 OW5 OW2 123.3(3) 2_645 2_655 ? OW1 OW5 OW2 100.2(3) 4_565 2_655 ? OH2 OW5 OW2 74.7(2) 4_565 2_655 ? OW4 OW5 OW2 39.49(17) 3_665 2_655 ? OW2 OW5 OW2 67.92(18) 1_554 2_655 ? OW2 OW5 OW2 92.4(2) 2_645 2_655 ? OW3 OW5 OH3 36.7(3) . . ? OW4 OW5 OH3 77.2(3) . . ? OW4 OW5 OH3 100.0(3) 3_655 . ? O4 OW5 OH3 132.1(4) 1_554 . ? OW1 OW5 OH3 98.0(3) 2_655 . ? O1 OW5 OH3 150.0(4) 1_554 . ? O2 OW5 OH3 33.1(2) 4_565 . ? S OW5 OH3 137.4(3) 1_554 . ? OH2 OW5 OH3 55.2(2) 2_655 . ? OW5 OW5 OH3 88.1(3) 3_655 . ? Fe3 OW5 OH3 107.7(2) 2_655 . ? Te2 OW5 OH3 75.54(19) . . ? OW1 OW5 OH3 79.4(2) 2_645 . ? OW1 OW5 OH3 98.8(2) 4_565 . ? OH2 OW5 OH3 132.6(3) 4_565 . ? OW4 OW5 OH3 111.5(3) 3_665 . ? OW2 OW5 OH3 166.5(3) 1_554 . ? OW2 OW5 OH3 109.4(2) 2_645 . ? OW2 OW5 OH3 125.6(2) 2_655 . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 2.383 _refine_diff_density_min -1.137 _refine_diff_density_rms 0.275