data_mt _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H3.60 Fe1.20 O8 S0.40 Te1.60' _chemical_formula_weight 415.63 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 14.395(5) _cell_length_b 7.296(4) _cell_length_c 16.411(6) _cell_angle_alpha 90.00 _cell_angle_beta 98.909(10) _cell_angle_gamma 90.00 _cell_volume 1702.8(13) _cell_formula_units_Z 10 _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 4.053 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1884 _exptl_absorpt_coefficient_mu 9.466 _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 11540 _diffrn_reflns_av_R_equivalents 0.0522 _diffrn_reflns_av_sigmaI/netI 0.0378 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_h_max 17 _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 2.51 _diffrn_reflns_theta_max 25.06 _reflns_number_total 3020 _reflns_number_gt 2461 _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^)+(0.0343P)^2^+8.3001P] 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 0.00027(7) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 3020 _refine_ls_number_parameters 254 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0434 _refine_ls_R_factor_gt 0.0301 _refine_ls_wR_factor_ref 0.0734 _refine_ls_wR_factor_gt 0.0685 _refine_ls_goodness_of_fit_ref 1.072 _refine_ls_restrained_S_all 1.072 _refine_ls_shift/su_max 0.001 _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 0.11405(3) 0.11119(7) 0.48810(3) 0.01061(14) Uani 1 1 d . . . Te2 Te 0.79188(3) 0.10860(7) 0.00644(3) 0.01129(14) Uani 1 1 d . . . Te3 Te 0.00124(4) 0.13559(7) 0.71525(3) 0.01308(14) Uani 1 1 d . . . Te4 Te 0.24343(4) 0.08050(8) 0.23946(3) 0.01504(15) Uani 1 1 d . . . Fe1 Fe 0.01513(7) 0.00184(16) 0.09342(6) 0.0102(2) Uani 1 1 d . . . Fe2 Fe 0.85460(8) 0.33121(16) 0.83190(7) 0.0117(3) Uani 1 1 d . . . Fe3 Fe 0.32573(8) 0.02017(16) 0.57013(7) 0.0142(3) Uani 1 1 d . . . S S 0.55425(15) 0.1701(3) 0.85691(14) 0.0229(5) Uani 1 1 d . . . O1 O 0.4741(6) 0.0769(12) 0.8770(7) 0.069(3) Uani 1 1 d . . . O2 O 0.5445(5) 0.2186(13) 0.7688(4) 0.054(2) Uani 1 1 d . . . O3 O 0.6409(5) 0.0599(9) 0.8769(4) 0.0294(15) Uani 1 1 d . . . O4 O 0.5672(4) 0.3437(9) 0.9042(4) 0.0282(15) Uani 1 1 d . . . O5 O 0.2278(4) 0.2042(8) 0.5423(3) 0.0155(12) Uani 1 1 d . . . O6 O 0.0739(4) -0.0030(8) 0.5788(3) 0.0147(12) Uani 1 1 d . . . O7 O 0.0512(4) 0.3428(8) 0.4989(3) 0.0134(11) Uani 1 1 d . . . O8 O 0.8986(4) 0.1404(8) 0.0858(3) 0.0179(13) Uani 1 1 d . . . O9 O 0.7605(4) 0.3587(8) 0.0032(3) 0.0154(12) Uani 1 1 d . . . O10 O 0.8571(3) 0.1211(7) -0.0881(3) 0.0114(11) Uani 1 1 d . . . O11 O 0.1110(4) 0.0060(8) 0.7493(3) 0.0151(12) Uani 1 1 d . . . O12 O 0.0646(3) 0.3518(8) 0.6918(3) 0.0125(11) Uani 1 1 d . . . O13 O -0.0094(3) 0.2093(7) 0.8253(3) 0.0109(11) Uani 1 1 d . . . O14 O 0.1955(4) -0.1477(8) 0.2573(3) 0.0175(12) Uani 1 1 d . . . OH1 O 0.2113(4) 0.2034(9) 0.3345(3) 0.0215(13) Uani 1 1 d . . . OH2 O 0.3608(4) 0.0276(9) 0.3080(3) 0.0254(14) Uani 1 1 d . . . OH3 O 0.7301(4) 0.0641(8) 0.3332(3) 0.0185(13) Uani 1 1 d . . . OW1 O 0.3937(4) 0.1019(10) 0.4740(4) 0.0300(16) Uani 1 1 d . . . OW2 O 0.4074(4) 0.2091(9) 0.6386(4) 0.0291(15) Uani 1 1 d . . . OW3 O 0.6958(6) 0.1002(13) 0.1364(5) 0.058(2) 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 0.0165(3) 0.0056(3) 0.0094(2) 0.00035(19) 0.00096(19) 0.0004(2) Te2 0.0173(3) 0.0074(3) 0.0091(2) 0.0007(2) 0.00162(19) 0.0004(2) Te3 0.0209(3) 0.0082(3) 0.0102(3) 0.0008(2) 0.00259(19) 0.0006(2) Te4 0.0215(3) 0.0115(3) 0.0115(3) -0.0004(2) 0.0010(2) -0.0023(2) Fe1 0.0178(5) 0.0065(6) 0.0060(5) -0.0008(4) 0.0004(4) 0.0003(4) Fe2 0.0185(6) 0.0061(6) 0.0106(5) 0.0011(4) 0.0019(4) -0.0006(4) Fe3 0.0156(5) 0.0094(6) 0.0168(6) 0.0001(5) -0.0002(4) -0.0006(5) S 0.0230(11) 0.0140(12) 0.0298(12) -0.0057(9) -0.0024(9) -0.0011(9) O1 0.044(5) 0.038(5) 0.126(9) 0.000(6) 0.021(5) -0.019(4) O2 0.065(5) 0.070(6) 0.022(4) -0.010(4) -0.007(3) 0.044(5) O3 0.041(4) 0.015(3) 0.028(3) -0.001(3) -0.008(3) 0.010(3) O4 0.025(3) 0.020(4) 0.040(4) -0.014(3) 0.007(3) -0.003(3) O5 0.021(3) 0.008(3) 0.016(3) -0.002(2) -0.001(2) -0.003(2) O6 0.016(3) 0.013(3) 0.015(3) 0.001(2) 0.002(2) 0.001(2) O7 0.020(3) 0.008(3) 0.011(3) 0.000(2) 0.000(2) 0.004(2) O8 0.022(3) 0.023(4) 0.008(3) -0.005(2) -0.002(2) 0.005(2) O9 0.018(3) 0.010(3) 0.016(3) 0.000(2) -0.004(2) 0.002(2) O10 0.015(3) 0.008(3) 0.012(3) 0.003(2) 0.004(2) 0.002(2) O11 0.024(3) 0.008(3) 0.013(3) -0.001(2) 0.003(2) 0.000(2) O12 0.016(3) 0.009(3) 0.012(3) 0.001(2) 0.002(2) -0.003(2) O13 0.020(3) 0.005(3) 0.007(2) 0.002(2) 0.002(2) -0.001(2) O14 0.027(3) 0.010(3) 0.015(3) -0.002(2) 0.001(2) -0.006(2) OH1 0.033(3) 0.018(3) 0.012(3) -0.003(3) -0.001(2) 0.000(3) OH2 0.020(3) 0.032(4) 0.021(3) 0.003(3) -0.007(2) 0.001(3) OH3 0.016(3) 0.022(3) 0.016(3) 0.004(3) -0.001(2) -0.004(2) OW1 0.028(3) 0.044(5) 0.020(3) 0.003(3) 0.009(3) -0.009(3) OW2 0.035(3) 0.010(3) 0.035(4) 0.001(3) -0.016(3) -0.003(3) OW3 0.055(5) 0.063(6) 0.056(5) -0.031(5) 0.011(4) -0.016(4) _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 1.865(5) . ? Te1 O6 1.873(5) . ? Te1 O7 1.938(5) . ? Te1 O9 2.567(6) 2_645 ? Te1 O6 2.869(5) 3_556 ? Te1 OH1 3.140(6) . ? Te1 Fe3 3.2043(15) . ? Te1 O13 3.247(5) 4_565 ? Te1 Fe1 3.5497(18) 2 ? Te1 Fe2 3.5623(16) 2_646 ? Te1 OH3 3.637(5) 3_656 ? Te1 O8 3.638(6) 2_645 ? Te1 Fe1 3.7079(17) 4_566 ? Te1 Te1 3.7367(15) 3_556 ? Te1 Te2 3.870(2) 2_655 ? Te1 Te2 3.905(2) 2_645 ? Te1 Te3 3.9265(13) 3_556 ? Te1 OW1 4.068(6) . ? Te1 Fe2 4.2108(17) 4_465 ? Te1 Te3 4.2941(15) . ? Te1 OW2 4.605(6) . ? Te1 Te4 4.7458(16) . ? Te1 Te4 4.8131(15) 4_566 ? Te1 Te3 4.8834(16) 4_565 ? Te1 OH2 4.997(6) . ? Te1 OW3 5.111(9) 2_655 ? Te1 Te2 5.1195(17) 4_466 ? Te1 OW3 5.225(9) 2_645 ? Te2 O8 1.869(5) . ? Te2 O9 1.879(6) . ? Te2 O10 1.936(5) . ? Te2 OW3 2.716(8) . ? Te2 O3 2.818(6) 1_554 ? Te2 O7 2.989(5) 2_645 ? Te2 O5 3.059(6) 2_645 ? Te2 Fe1 3.3988(15) 1_655 ? Te2 Fe2 3.5296(15) 1_554 ? Te2 Fe1 3.5303(15) 3_655 ? Te2 Fe3 3.5781(19) 2_655 ? Te2 OH3 3.714(6) 4_565 ? Te2 O7 3.770(5) 4_665 ? Te2 O4 3.813(6) 1_554 ? Te2 O6 3.815(6) 2_655 ? Te2 Te1 3.870(2) 2_645 ? Te2 Te1 3.905(2) 2_655 ? Te2 S 3.915(2) 1_554 ? Te2 OH1 3.949(6) 2_645 ? Te2 Te4 4.2203(16) 3_655 ? Te2 OW2 4.502(6) 2_645 ? Te2 OW1 4.523(7) 2_655 ? Te2 Te3 4.5946(13) 4_665 ? Te2 OW1 4.601(7) 2_645 ? Te2 OH2 5.052(6) 2_655 ? Te2 OH1 5.069(6) 2_655 ? Te2 Te1 5.1196(17) 4_665 ? Te2 Te3 5.3564(16) 3_656 ? Te2 OH2 5.379(6) 3_655 ? Te2 Te4 5.4917(18) 2_655 ? Te2 OW2 5.565(6) 2_655 ? Te2 OH3 5.579(6) . ? Te2 OH3 5.673(6) 4 ? Te2 Te4 5.7577(19) 2_645 ? Te3 O11 1.852(5) . ? Te3 O12 1.891(5) . ? Te3 O13 1.913(5) . ? Te3 O6 2.804(5) . ? Te3 O12 2.821(5) 2_546 ? Te3 O8 2.897(5) 4_466 ? Te3 O14 2.937(6) 3_556 ? Te3 O13 3.187(6) 2_546 ? Te3 Fe2 3.2146(16) 2_646 ? Te3 O11 3.247(6) 2_556 ? Te3 Fe1 3.3391(16) 3_556 ? Te3 Fe1 3.3404(17) 4_566 ? Te3 Fe2 3.3778(14) 1_455 ? Te3 OH1 3.538(6) 4_566 ? Te3 Te3 3.8240(19) 2_546 ? Te3 Te3 3.8240(19) 2_556 ? Te3 OH1 3.920(6) 3_556 ? Te3 Te1 3.9264(13) 3_556 ? Te3 Te4 4.0217(14) 4_566 ? Te3 Te4 4.0317(14) 3_556 ? Te3 OH3 4.319(6) 3_656 ? Te3 Te2 4.5946(13) 4_466 ? Te3 OW3 4.792(8) 4_466 ? Te3 Te1 4.8835(16) 4_566 ? Te3 OW3 4.962(9) 3_656 ? Te3 OH3 5.110(5) 4_466 ? Te3 OH2 5.301(6) 3_556 ? Te3 Te2 5.3564(16) 3_656 ? Te4 O14 1.843(6) . ? Te4 OH1 1.916(6) . ? Te4 OH2 1.918(5) . ? Te4 O12 2.619(5) 4_565 ? Te4 O3 2.907(7) 3_656 ? Te4 O10 3.052(5) 3_655 ? Te4 Fe2 3.4459(19) 3_656 ? Te4 OW2 3.447(7) 4_565 ? Te4 O5 3.573(5) 4_565 ? Te4 O11 3.586(6) 4_565 ? Te4 OH3 3.762(6) 2_655 ? Te4 O2 3.771(7) 3_656 ? Te4 Fe1 3.7992(15) . ? Te4 S 3.969(3) 3_656 ? Te4 OH3 3.988(6) 2_645 ? Te4 Te3 4.0217(14) 4_565 ? Te4 Te3 4.0317(14) 3_556 ? Te4 OW3 4.080(8) 2_645 ? Te4 OW1 4.116(6) . ? Te4 Te2 4.2204(16) 3_655 ? Te4 Fe3 4.3167(18) 4_565 ? Te4 OW3 4.329(10) 2_655 ? Te4 Te1 4.8130(15) 4_565 ? Te4 Te2 5.4917(18) 2_645 ? Te4 OW2 5.534(6) 3_656 ? Te4 OW1 5.651(6) 4_565 ? Te4 Te2 5.7576(19) 2_655 ? Fe1 O8 1.946(6) 1_455 ? Fe1 O12 1.975(5) 4_565 ? Fe1 O7 2.026(5) 2_545 ? Fe1 O13 2.048(5) 3_556 ? Fe1 O7 2.052(5) 4_565 ? Fe1 O10 2.061(5) 3_655 ? Fe1 Te3 3.3390(16) 3_556 ? Fe1 Te3 3.3404(17) 4_565 ? Fe1 Te2 3.3987(15) 1_455 ? Fe1 Te2 3.5303(15) 3_655 ? Fe1 Te1 3.5497(18) 2_545 ? Fe1 Te1 3.7079(17) 4_565 ? Fe2 OH3 1.951(5) 4_566 ? Fe2 O11 1.963(6) 2_656 ? Fe2 O10 2.015(5) 1_556 ? Fe2 O14 2.032(6) 3_656 ? Fe2 O6 2.050(6) 2_656 ? Fe2 O13 2.169(5) 1_655 ? Fe2 Te3 3.2146(16) 2_656 ? Fe2 Te3 3.3778(14) 1_655 ? Fe2 Te4 3.4459(19) 3_656 ? Fe2 Te2 3.5296(15) 1_556 ? Fe2 Te1 3.5623(16) 2_656 ? Fe2 OW3 3.674(8) 4_566 ? Fe3 O5 1.949(6) . ? Fe3 O9 1.979(5) 2_645 ? Fe3 OH3 1.984(5) 3_656 ? Fe3 O4 2.002(6) 2_646 ? Fe3 OW2 2.033(6) . ? Fe3 OW1 2.068(6) . ? Fe3 Te2 3.5781(19) 2_645 ? Fe3 OH1 4.182(6) . ? Fe3 Te4 4.3168(18) 4_566 ? S O1 1.421(8) . ? S O2 1.474(7) . ? S O3 1.477(6) . ? S O4 1.482(6) . ? S OH3 3.260(6) 4_566 ? S OW2 3.407(7) 2_646 ? S OH2 3.453(7) 3_656 ? S OH2 3.546(6) 4_566 ? S OW1 3.631(6) 4_566 ? S OW2 3.879(6) . ? S Te2 3.915(2) 1_556 ? S Te4 3.969(3) 3_656 ? O1 OW3 2.744(11) 3_656 ? O1 OW1 3.152(12) 4_566 ? O1 OW2 3.212(11) 2_646 ? O1 OH2 3.420(11) 4_566 ? O2 OW2 2.676(9) . ? O2 OH2 2.684(10) 3_656 ? O2 OH3 3.146(10) 4_566 ? O2 OH2 3.372(9) 4_566 ? O2 OW3 3.560(12) 4_566 ? O2 Te4 3.771(7) 3_656 ? O3 OW2 2.654(9) 2_646 ? O3 Te2 2.818(6) 1_556 ? O3 Te4 2.907(7) 3_656 ? O3 OH2 3.097(9) 3_656 ? O3 OH3 3.159(9) 4_566 ? O4 Fe3 2.003(6) 2_656 ? O4 OW1 2.740(9) 2_656 ? O4 OW2 2.795(9) 2_656 ? O4 OH3 2.857(8) 4_566 ? O4 OW1 2.932(8) 4_566 ? O4 OH2 3.279(8) 4_566 ? O4 Te2 3.813(6) 1_556 ? O5 OW2 2.814(8) . ? O5 OH3 2.827(8) 3_656 ? O5 OW1 2.888(8) . ? O5 Te2 3.059(6) 2_655 ? O5 OH1 3.382(8) . ? O5 Te4 3.573(5) 4_566 ? O6 Fe2 2.050(5) 2_646 ? O6 Te1 2.869(5) 3_556 ? O6 OH3 2.997(7) 3_656 ? O6 Te2 3.815(6) 2_645 ? O7 Fe1 2.026(5) 2 ? O7 Fe1 2.052(5) 4_566 ? O7 Te2 2.989(5) 2_655 ? O7 Te2 3.770(5) 4_466 ? O8 Fe1 1.946(6) 1_655 ? O8 Te3 2.897(5) 4_665 ? O8 OW3 3.170(10) . ? O8 Te1 3.638(6) 2_655 ? O9 Fe3 1.979(5) 2_655 ? O9 Te1 2.568(6) 2_655 ? O9 OH3 2.814(8) 4_565 ? O9 OW1 2.911(8) 2_655 ? O9 OW3 3.136(11) . ? O9 OH1 3.640(8) 2_655 ? O10 Fe2 2.015(5) 1_554 ? O10 Fe1 2.061(5) 3_655 ? O10 Te4 3.052(5) 3_655 ? O10 OH3 3.091(8) 4_565 ? O11 Fe2 1.963(5) 2_646 ? O11 OH1 2.812(8) 4_566 ? O11 OH3 2.878(8) 3_656 ? O11 OW3 3.200(10) 3_656 ? O11 Te3 3.247(6) 2_546 ? O11 Te4 3.586(6) 4_566 ? O12 Fe1 1.975(5) 4_566 ? O12 Te4 2.619(5) 4_566 ? O12 Te3 2.821(5) 2_556 ? O12 OH1 2.927(7) 4_566 ? O13 Fe1 2.048(5) 3_556 ? O13 Fe2 2.169(5) 1_455 ? O13 Te3 3.187(5) 2_556 ? O13 OH1 3.220(8) 4_566 ? O13 Te1 3.247(5) 4_566 ? O14 Fe2 2.033(5) 3_656 ? O14 OH2 2.716(8) . ? O14 OW3 2.834(10) 2_645 ? O14 OH1 2.850(8) . ? O14 OH3 2.876(8) 2_645 ? O14 Te3 2.937(6) 3_556 ? OH1 OH2 2.599(8) . ? OH1 O11 2.812(8) 4_565 ? OH1 O12 2.927(7) 4_565 ? OH1 OW3 3.194(11) 2_655 ? OH1 O13 3.220(8) 4_565 ? OH1 OW1 3.291(8) . ? OH1 Te3 3.538(6) 4_565 ? OH1 O9 3.640(8) 2_645 ? OH1 Te3 3.920(6) 3_556 ? OH1 Te2 3.949(6) 2_655 ? OH1 OH3 3.990(8) 2_655 ? OH1 Fe1 4.238(6) 2 ? OH1 OW3 4.603(11) 2_645 ? OH1 OW2 4.639(9) 4_565 ? OH1 Te2 5.068(6) 2_645 ? OH2 O2 2.684(10) 3_656 ? OH2 OW1 2.747(8) . ? OH2 O3 3.097(9) 3_656 ? OH2 O4 3.279(8) 4_565 ? OH2 O2 3.372(9) 4_565 ? OH2 OW3 3.384(11) 2_645 ? OH2 O1 3.420(11) 4_565 ? OH2 S 3.453(7) 3_656 ? OH2 OW2 3.528(9) 4_565 ? OH2 S 3.546(6) 4_565 ? OH2 OW2 3.739(8) 3_656 ? OH2 OH3 4.193(9) 2_645 ? OH2 OW3 4.379(12) 2_655 ? OH2 OH3 4.632(9) 2_655 ? OH2 OW1 4.719(8) 3_656 ? OH2 Te2 5.052(6) 2_645 ? OH3 Fe2 1.951(5) 4_565 ? OH3 Fe3 1.984(5) 3_656 ? OH3 O9 2.814(8) 4_566 ? OH3 O5 2.827(8) 3_656 ? OH3 O4 2.857(8) 4_565 ? OH3 O14 2.876(8) 2_655 ? OH3 O11 2.878(8) 3_656 ? OH3 OW2 2.897(8) 3_656 ? OH3 O6 2.997(7) 3_656 ? OH3 O10 3.091(8) 4_566 ? OH3 O2 3.146(10) 4_565 ? OH3 O3 3.159(9) 4_565 ? OH3 OW3 3.202(10) . ? OH3 S 3.260(6) 4_565 ? OH3 Te1 3.637(5) 3_656 ? OH3 Te2 3.714(6) 4_566 ? OH3 Te4 3.762(6) 2_645 ? OH3 Te4 3.988(6) 2_655 ? OH3 OH1 3.990(8) 2_645 ? OH3 OW1 4.049(8) 3_656 ? OW1 O4 2.740(9) 2_646 ? OW1 OW2 2.789(9) . ? OW1 O9 2.911(8) 2_645 ? OW1 O4 2.932(8) 4_565 ? OW1 O1 3.152(12) 4_565 ? OW1 OW1 3.391(13) 3_656 ? OW1 S 3.631(6) 4_565 ? OW1 OH3 4.049(8) 3_656 ? OW1 OW3 4.176(11) 2_655 ? OW1 OW3 4.197(12) 2_645 ? OW1 OW2 4.290(9) 3_656 ? OW1 Te2 4.523(7) 2_645 ? OW1 Te2 4.601(7) 2_655 ? OW1 OH2 4.718(8) 3_656 ? OW2 O3 2.654(9) 2_656 ? OW2 O4 2.795(9) 2_646 ? OW2 OH3 2.897(8) 3_656 ? OW2 O1 3.211(11) 2_656 ? OW2 S 3.407(7) 2_656 ? OW2 Te4 3.447(7) 4_566 ? OW2 OH2 3.528(9) 4_566 ? OW2 OH2 3.739(8) 3_656 ? OW2 S 3.970(7) 2_646 ? OW2 OW1 4.290(9) 3_656 ? OW2 OW3 4.384(10) 4_566 ? OW2 Te2 4.503(6) 2_655 ? OW2 OH1 4.639(9) 4_566 ? OW2 OW3 4.758(11) 3_656 ? OW3 O1 2.745(11) 3_656 ? OW3 O14 2.834(10) 2_655 ? OW3 OH1 3.194(11) 2_645 ? OW3 O11 3.200(10) 3_656 ? OW3 OH2 3.384(11) 2_655 ? OW3 O2 3.560(12) 4_565 ? OW3 Fe2 3.674(8) 4_565 ? OW3 Te4 4.080(8) 2_655 ? OW3 OW1 4.176(11) 2_645 ? OW3 OW1 4.197(12) 2_655 ? OW3 Te4 4.329(10) 2_645 ? OW3 OH2 4.379(12) 2_645 ? OW3 OW2 4.384(10) 4_565 ? OW3 OH1 4.603(11) 2_655 ? OW3 OW2 4.758(11) 3_656 ? OW3 Te3 4.792(8) 4_665 ? 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 98.0(2) . . ? O5 Te1 O7 91.6(2) . . ? O6 Te1 O7 96.3(2) . . ? O5 Te1 O9 71.1(2) . 2_645 ? O6 Te1 O9 86.4(2) . 2_645 ? O7 Te1 O9 162.7(2) . 2_645 ? O5 Te1 O6 171.3(2) . 3_556 ? O6 Te1 O6 78.0(2) . 3_556 ? O7 Te1 O6 81.30(19) . 3_556 ? O9 Te1 O6 115.93(17) 2_645 3_556 ? O5 Te1 OH1 80.64(19) . . ? O6 Te1 OH1 164.5(2) . . ? O7 Te1 OH1 99.15(19) . . ? O9 Te1 OH1 78.54(17) 2_645 . ? O6 Te1 OH1 105.26(14) 3_556 . ? O5 Te1 Fe3 33.69(18) . . ? O6 Te1 Fe3 87.95(16) . . ? O7 Te1 Fe3 124.72(16) . . ? O9 Te1 Fe3 38.12(12) 2_645 . ? O6 Te1 Fe3 152.00(12) 3_556 . ? OH1 Te1 Fe3 82.45(11) . . ? O5 Te1 O13 125.0(2) . 4_565 ? O6 Te1 O13 129.53(18) . 4_565 ? O7 Te1 O13 61.29(17) . 4_565 ? O9 Te1 O13 128.72(15) 2_645 4_565 ? O6 Te1 O13 55.44(14) 3_556 4_565 ? OH1 Te1 O13 60.52(14) . 4_565 ? Fe3 Te1 O13 142.46(9) . 4_565 ? O5 Te1 Fe1 104.92(18) . 2 ? O6 Te1 Fe1 116.66(17) . 2 ? O7 Te1 Fe1 27.06(15) . 2 ? O9 Te1 Fe1 156.89(12) 2_645 2 ? O6 Te1 Fe1 70.65(12) 3_556 2 ? OH1 Te1 Fe1 78.34(11) . 2 ? Fe3 Te1 Fe1 137.17(3) . 2 ? O13 Te1 Fe1 34.71(9) 4_565 2 ? O5 Te1 Fe2 79.88(17) . 2_646 ? O6 Te1 Fe2 25.99(16) . 2_646 ? O7 Te1 Fe2 115.17(15) . 2_646 ? O9 Te1 Fe2 62.93(12) 2_645 2_646 ? O6 Te1 Fe2 98.64(11) 3_556 2_646 ? OH1 Te1 Fe2 140.69(11) . 2_646 ? Fe3 Te1 Fe2 62.78(3) . 2_646 ? O13 Te1 Fe2 153.73(9) 4_565 2_646 ? Fe1 Te1 Fe2 139.88(3) 2 2_646 ? O5 Te1 OH3 50.02(19) . 3_656 ? O6 Te1 OH3 55.29(17) . 3_656 ? O7 Te1 OH3 118.12(18) . 3_656 ? O9 Te1 OH3 50.40(15) 2_645 3_656 ? O6 Te1 OH3 129.72(14) 3_556 3_656 ? OH1 Te1 OH3 115.27(14) . 3_656 ? Fe3 Te1 OH3 32.95(8) . 3_656 ? O13 Te1 OH3 174.83(13) 4_565 3_656 ? Fe1 Te1 OH3 143.88(10) 2 3_656 ? Fe2 Te1 OH3 31.42(9) 2_646 3_656 ? O5 Te1 O8 119.82(19) . 2_645 ? O6 Te1 O8 80.7(2) . 2_645 ? O7 Te1 O8 148.62(18) . 2_645 ? O9 Te1 O8 48.68(15) 2_645 2_645 ? O6 Te1 O8 67.48(14) 3_556 2_645 ? OH1 Te1 O8 86.56(14) . 2_645 ? Fe3 Te1 O8 86.55(9) . 2_645 ? O13 Te1 O8 96.52(13) 4_565 2_645 ? Fe1 Te1 O8 129.50(9) 2 2_645 ? Fe2 Te1 O8 74.25(9) 2_646 2_645 ? OH3 Te1 O8 85.98(13) 3_656 2_645 ? O5 Te1 Fe1 82.70(17) . 4_566 ? O6 Te1 Fe1 77.32(18) . 4_566 ? O7 Te1 Fe1 22.33(15) . 4_566 ? O9 Te1 Fe1 146.91(12) 2_645 4_566 ? O6 Te1 Fe1 88.87(11) 3_556 4_566 ? OH1 Te1 Fe1 117.53(12) . 4_566 ? Fe3 Te1 Fe1 111.76(3) . 4_566 ? O13 Te1 Fe1 82.86(9) 4_565 4_566 ? Fe1 Te1 Fe1 49.29(4) 2 4_566 ? Fe2 Te1 Fe1 93.36(4) 2_646 4_566 ? OH3 Te1 Fe1 97.19(10) 3_656 4_566 ? O8 Te1 Fe1 150.62(9) 2_645 4_566 ? O5 Te1 Te1 145.95(17) . 3_556 ? O6 Te1 Te1 48.68(16) . 3_556 ? O7 Te1 Te1 86.49(16) . 3_556 ? O9 Te1 Te1 107.71(13) 2_645 3_556 ? O6 Te1 Te1 29.36(11) 3_556 3_556 ? OH1 Te1 Te1 133.24(10) . 3_556 ? Fe3 Te1 Te1 131.29(4) . 3_556 ? O13 Te1 Te1 83.31(9) 4_565 3_556 ? Fe1 Te1 Te1 88.31(4) 2 3_556 ? Fe2 Te1 Te1 70.42(3) 2_646 3_556 ? OH3 Te1 Te1 101.84(9) 3_656 3_556 ? O8 Te1 Te1 68.00(9) 2_645 3_556 ? Fe1 Te1 Te1 82.81(4) 4_566 3_556 ? O5 Te1 Te2 50.93(17) . 2_655 ? O6 Te1 Te2 123.28(18) . 2_655 ? O7 Te1 Te2 49.22(16) . 2_655 ? O9 Te1 Te2 115.53(13) 2_645 2_655 ? O6 Te1 Te2 124.95(12) 3_556 2_655 ? OH1 Te1 Te2 67.65(11) . 2_655 ? Fe3 Te1 Te2 82.99(3) . 2_655 ? O13 Te1 Te2 77.62(9) 4_565 2_655 ? Fe1 Te1 Te2 54.32(3) 2 2_655 ? Fe2 Te1 Te2 121.31(3) 2_646 2_655 ? OH3 Te1 Te2 98.11(10) 3_656 2_655 ? O8 Te1 Te2 153.18(9) 2_645 2_655 ? Fe1 Te1 Te2 55.48(3) 4_566 2_655 ? Te1 Te1 Te2 135.63(2) 3_556 2_655 ? O5 Te1 Te2 93.15(18) . 2_645 ? O6 Te1 Te2 73.29(17) . 2_645 ? O7 Te1 Te2 169.07(16) . 2_645 ? O9 Te1 Te2 24.04(12) 2_645 2_645 ? O6 Te1 Te2 93.07(12) 3_556 2_645 ? OH1 Te1 Te2 91.35(12) . 2_645 ? Fe3 Te1 Te2 59.46(2) . 2_645 ? O13 Te1 Te2 122.77(9) 4_565 2_645 ? Fe1 Te1 Te2 157.24(2) 2 2_645 ? Fe2 Te1 Te2 56.19(3) 2_646 2_645 ? OH3 Te1 Te2 58.87(10) 3_656 2_645 ? O8 Te1 Te2 28.41(8) 2_645 2_645 ? Fe1 Te1 Te2 149.44(3) 4_566 2_645 ? Te1 Te1 Te2 84.09(3) 3_556 2_645 ? Te2 Te1 Te2 139.57(3) 2_655 2_645 ? O5 Te1 Te3 142.75(16) . 3_556 ? O6 Te1 Te3 109.23(17) . 3_556 ? O7 Te1 Te3 109.61(15) . 3_556 ? O9 Te1 Te3 85.37(12) 2_645 3_556 ? O6 Te1 Te3 45.52(11) 3_556 3_556 ? OH1 Te1 Te3 66.31(11) . 3_556 ? Fe3 Te1 Te3 120.75(3) . 3_556 ? O13 Te1 Te3 51.70(10) 4_565 3_556 ? Fe1 Te1 Te3 85.42(4) 2 3_556 ? Fe2 Te1 Te3 115.11(4) 2_646 3_556 ? OH3 Te1 Te3 130.60(10) 3_656 3_556 ? O8 Te1 Te3 44.83(8) 2_645 3_556 ? Fe1 Te1 Te3 127.09(3) 4_566 3_556 ? Te1 Te1 Te3 68.11(2) 3_556 3_556 ? Te2 Te1 Te3 123.37(2) 2_655 3_556 ? Te2 Te1 Te3 71.84(2) 2_645 3_556 ? O5 Te1 OW1 39.65(19) . . ? O6 Te1 OW1 117.85(18) . . ? O7 Te1 OW1 120.00(19) . . ? O9 Te1 OW1 45.39(16) 2_645 . ? O6 Te1 OW1 148.96(14) 3_556 . ? OH1 Te1 OW1 52.42(14) . . ? Fe3 Te1 OW1 30.16(9) . . ? O13 Te1 OW1 112.35(12) 4_565 . ? Fe1 Te1 OW1 117.21(10) 2 . ? Fe2 Te1 OW1 92.18(9) 2_646 . ? OH3 Te1 OW1 63.12(12) 3_656 . ? O8 Te1 OW1 87.95(13) 2_645 . ? Fe1 Te1 OW1 119.60(10) 4_566 . ? Te1 Te1 OW1 153.11(11) 3_556 . ? Te2 Te1 OW1 70.81(10) 2_655 . ? Te2 Te1 OW1 69.08(10) 2_645 . ? Te3 Te1 OW1 103.64(9) 3_556 . ? O5 Te1 Fe2 152.13(18) . 4_465 ? O6 Te1 Fe2 100.05(16) . 4_465 ? O7 Te1 Fe2 65.53(15) . 4_465 ? O9 Te1 Fe2 130.93(12) 2_645 4_465 ? O6 Te1 Fe2 25.77(11) 3_556 4_465 ? OH1 Te1 Fe2 87.33(11) . 4_465 ? Fe3 Te1 Fe2 166.54(3) . 4_465 ? O13 Te1 Fe2 30.46(9) 4_565 4_465 ? Fe1 Te1 Fe2 47.70(3) 2 4_465 ? Fe2 Te1 Fe2 123.27(2) 2_646 4_465 ? OH3 Te1 Fe2 154.69(9) 3_656 4_465 ? O8 Te1 Fe2 84.10(9) 2_645 4_465 ? Fe1 Te1 Fe2 80.76(3) 4_566 4_465 ? Te1 Te1 Fe2 52.85(3) 3_556 4_465 ? Te2 Te1 Fe2 101.23(2) 2_655 4_465 ? Te2 Te1 Fe2 112.30(2) 2_645 4_465 ? Te3 Te1 Fe2 46.38(2) 3_556 4_465 ? OW1 Te1 Fe2 139.40(9) . 4_465 ? O5 Te1 Te3 89.61(16) . . ? O6 Te1 Te3 28.86(18) . . ? O7 Te1 Te3 68.89(15) . . ? O9 Te1 Te3 109.79(12) 2_645 . ? O6 Te1 Te3 83.24(11) 3_556 . ? OH1 Te1 Te3 164.49(11) . . ? Fe3 Te1 Te3 96.13(3) . . ? O13 Te1 Te3 117.74(9) 4_565 . ? Fe1 Te1 Te3 92.72(3) 2 . ? Fe2 Te1 Te3 47.18(3) 2_646 . ? OH3 Te1 Te3 65.38(9) 3_656 . ? O8 Te1 Te3 108.82(8) 2_645 . ? Fe1 Te1 Te3 48.67(2) 4_566 . ? Te1 Te1 Te3 58.043(18) 3_556 . ? Te2 Te1 Te3 96.836(17) 2_655 . ? Te2 Te1 Te3 101.268(16) 2_645 . ? Te3 Te1 Te3 126.15(2) 3_556 . ? OW1 Te1 Te3 124.09(8) . . ? Fe2 Te1 Te3 96.05(3) 4_465 . ? O5 Te1 OW2 12.56(19) . . ? O6 Te1 OW2 90.75(18) . . ? O7 Te1 OW2 102.60(17) . . ? O9 Te1 OW2 60.21(14) 2_645 . ? O6 Te1 OW2 168.52(14) 3_556 . ? OH1 Te1 OW2 84.93(13) . . ? Fe3 Te1 OW2 22.12(8) . . ? O13 Te1 OW2 135.90(12) 4_565 . ? Fe1 Te1 OW2 117.44(8) 2 . ? Fe2 Te1 OW2 69.90(9) 2_646 . ? OH3 Te1 OW2 38.97(12) 3_656 . ? O8 Te1 OW2 108.65(11) 2_645 . ? Fe1 Te1 OW2 91.05(9) 4_566 . ? Te1 Te1 OW2 139.36(9) 3_556 . ? Te2 Te1 OW2 63.49(8) 2_655 . ? Te2 Te1 OW2 81.22(8) 2_645 . ? Te3 Te1 OW2 139.34(9) 3_556 . ? OW1 Te1 OW2 36.85(13) . . ? Fe2 Te1 OW2 164.60(8) 4_465 . ? Te3 Te1 OW2 88.09(9) . . ? O5 Te1 Te4 89.69(16) . . ? O6 Te1 Te4 150.74(18) . . ? O7 Te1 Te4 111.75(15) . . ? O9 Te1 Te4 69.37(12) 2_645 . ? O6 Te1 Te4 97.51(11) 3_556 . ? OH1 Te1 Te4 15.58(11) . . ? Fe3 Te1 Te4 82.94(3) . . ? O13 Te1 Te4 63.20(9) 4_565 . ? Fe1 Te1 Te4 88.07(3) 2 . ? Fe2 Te1 Te4 132.05(3) 2_646 . ? OH3 Te1 Te4 113.68(9) 3_656 . ? O8 Te1 Te4 71.02(8) 2_645 . ? Fe1 Te1 Te4 131.83(3) 4_566 . ? Te1 Te1 Te4 122.52(2) 3_556 . ? Te2 Te1 Te4 83.203(16) 2_655 . ? Te2 Te1 Te4 78.145(15) 2_645 . ? Te3 Te1 Te4 54.42(2) 3_556 . ? OW1 Te1 Te4 55.04(8) . . ? Fe2 Te1 Te4 84.87(3) 4_465 . ? Te3 Te1 Te4 179.059(15) . . ? OW2 Te1 Te4 91.09(9) . . ? O5 Te1 Te4 39.38(16) . 4_566 ? O6 Te1 Te4 69.70(17) . 4_566 ? O7 Te1 Te4 68.80(15) . 4_566 ? O9 Te1 Te4 96.45(12) 2_645 4_566 ? O6 Te1 Te4 132.32(11) 3_556 4_566 ? OH1 Te1 Te4 115.25(11) . 4_566 ? Fe3 Te1 Te4 61.33(3) . 4_566 ? O13 Te1 Te4 127.34(10) 4_565 4_566 ? Fe1 Te1 Te4 93.35(4) 2 4_566 ? Fe2 Te1 Te4 64.83(4) 2_646 4_566 ? OH3 Te1 Te4 50.56(10) 3_656 4_566 ? O8 Te1 Te4 136.04(8) 2_645 4_566 ? Fe1 Te1 Te4 50.96(2) 4_566 4_566 ? Te1 Te1 Te4 110.06(3) 3_556 4_566 ? Te2 Te1 Te4 56.926(18) 2_655 4_566 ? Te2 Te1 Te4 109.41(2) 2_645 4_566 ? Te3 Te1 Te4 177.793(16) 3_556 4_566 ? OW1 Te1 Te4 78.55(9) . 4_566 ? Fe2 Te1 Te4 131.61(2) 4_465 4_566 ? Te3 Te1 Te4 52.03(2) . 4_566 ? OW2 Te1 Te4 42.86(9) . 4_566 ? Te4 Te1 Te4 127.42(2) . 4_566 ? O5 Te1 Te3 116.23(17) . 4_565 ? O6 Te1 Te3 142.85(16) . 4_565 ? O7 Te1 Te3 70.13(15) . 4_565 ? O9 Te1 Te3 116.96(12) 2_645 4_565 ? O6 Te1 Te3 66.01(11) 3_556 4_565 ? OH1 Te1 Te3 46.29(11) . 4_565 ? Fe3 Te1 Te3 128.55(3) . 4_565 ? O13 Te1 Te3 14.28(9) 4_565 4_565 ? Fe1 Te1 Te3 43.137(19) 2 4_565 ? Fe2 Te1 Te3 163.48(2) 2_646 4_565 ? OH3 Te1 Te3 161.50(8) 3_656 4_565 ? O8 Te1 Te3 93.38(9) 2_645 4_565 ? Fe1 Te1 Te3 92.42(3) 4_566 4_565 ? Te1 Te1 Te3 95.01(2) 3_556 4_565 ? Te2 Te1 Te3 74.45(2) 2_655 4_565 ? Te2 Te1 Te3 116.178(19) 2_645 4_565 ? Te3 Te1 Te3 50.02(3) 3_556 4_565 ? OW1 Te1 Te3 98.38(9) . 4_565 ? Fe2 Te1 Te3 42.813(19) 4_465 4_565 ? Te3 Te1 Te3 131.57(2) . 4_565 ? OW2 Te1 Te3 125.45(8) . 4_565 ? Te4 Te1 Te3 49.35(2) . 4_565 ? Te4 Te1 Te3 129.69(3) 4_566 4_565 ? O5 Te1 OH2 71.01(18) . . ? O6 Te1 OH2 138.63(18) . . ? O7 Te1 OH2 123.03(18) . . ? O9 Te1 OH2 52.22(14) 2_645 . ? O6 Te1 OH2 117.06(12) 3_556 . ? OH1 Te1 OH2 26.54(13) . . ? Fe3 Te1 OH2 60.43(7) . . ? O13 Te1 OH2 84.89(11) 4_565 . ? Fe1 Te1 OH2 104.71(8) 2 . ? Fe2 Te1 OH2 114.21(8) 2_646 . ? OH3 Te1 OH2 91.61(11) 3_656 . ? O8 Te1 OH2 72.00(12) 2_645 . ? Fe1 Te1 OH2 136.72(8) 4_566 . ? Te1 Te1 OH2 136.50(8) 3_556 . ? Te2 Te1 OH2 81.37(8) 2_655 . ? Te2 Te1 OH2 67.87(8) 2_645 . ? Te3 Te1 OH2 71.76(7) 3_556 . ? OW1 Te1 OH2 33.31(10) . . ? Fe2 Te1 OH2 107.26(7) 4_465 . ? Te3 Te1 OH2 156.55(6) . . ? OW2 Te1 OH2 70.09(11) . . ? Te4 Te1 OH2 22.51(6) . . ? Te4 Te1 OH2 110.35(7) 4_566 . ? Te3 Te1 OH2 70.71(7) 4_565 . ? O5 Te1 OW3 56.76(19) . 2_655 ? O6 Te1 OW3 151.4(2) . 2_655 ? O7 Te1 OW3 73.41(19) . 2_655 ? O9 Te1 OW3 96.17(16) 2_645 2_655 ? O6 Te1 OW3 124.82(14) 3_556 2_655 ? OH1 Te1 OW3 36.56(15) . 2_655 ? Fe3 Te1 OW3 77.25(9) . 2_655 ? O13 Te1 OW3 69.40(13) 4_565 2_655 ? Fe1 Te1 OW3 64.57(9) 2 2_655 ? Fe2 Te1 OW3 136.45(9) 2_646 2_655 ? OH3 Te1 OW3 105.43(13) 3_656 2_655 ? O8 Te1 OW3 121.87(14) 2_645 2_655 ? Fe1 Te1 OW3 85.58(11) 4_566 2_655 ? Te1 Te1 OW3 151.46(9) 3_556 2_655 ? Te2 Te1 OW3 31.52(11) 2_655 2_655 ? Te2 Te1 OW3 117.34(10) 2_645 2_655 ? Te3 Te1 OW3 99.35(11) 3_556 2_655 ? OW1 Te1 OW3 52.64(13) . 2_655 ? Fe2 Te1 OW3 99.58(9) 4_465 2_655 ? Te3 Te1 OW3 128.02(11) . 2_655 ? OW2 Te1 OW3 66.59(12) . 2_655 ? Te4 Te1 OW3 51.94(11) . 2_655 ? Te4 Te1 OW3 81.73(11) 4_566 2_655 ? Te3 Te1 OW3 59.48(9) 4_565 2_655 ? OH2 Te1 OW3 51.33(13) . 2_655 ? O5 Te1 Te2 124.25(17) . 4_466 ? O6 Te1 Te2 74.77(16) . 4_466 ? O7 Te1 Te2 37.47(16) . 4_466 ? O9 Te1 Te2 156.74(12) 2_645 4_466 ? O6 Te1 Te2 47.39(11) 3_556 4_466 ? OH1 Te1 Te2 118.82(11) . 4_466 ? Fe3 Te1 Te2 150.37(3) . 4_466 ? O13 Te1 Te2 60.14(9) 4_565 4_466 ? Fe1 Te1 Te2 43.54(2) 2 4_466 ? Fe2 Te1 Te2 100.36(3) 2_646 4_466 ? OH3 Te1 Te2 122.96(9) 3_656 4_466 ? O8 Te1 Te2 113.43(9) 2_645 4_466 ? Fe1 Te1 Te2 41.563(19) 4_566 4_466 ? Te1 Te1 Te2 49.35(3) 3_556 4_466 ? Te2 Te1 Te2 86.62(3) 2_655 4_466 ? Te2 Te1 Te2 133.446(13) 2_645 4_466 ? Te3 Te1 Te2 88.03(2) 3_556 4_466 ? OW1 Te1 Te2 157.42(10) . 4_466 ? Fe2 Te1 Te2 43.10(2) 4_465 4_466 ? Te3 Te1 Te2 57.631(15) . 4_466 ? OW2 Te1 Te2 132.09(9) . 4_466 ? Te4 Te1 Te2 123.305(17) . 4_466 ? Te4 Te1 Te2 89.82(2) 4_566 4_466 ? Te3 Te1 Te2 74.171(18) 4_565 4_466 ? OH2 Te1 Te2 144.76(7) . 4_466 ? OW3 Te1 Te2 106.91(9) 2_655 4_466 ? O5 Te1 OW3 88.4(2) . 2_645 ? O6 Te1 OW3 103.8(2) . 2_645 ? O7 Te1 OW3 159.76(17) . 2_645 ? O9 Te1 OW3 26.28(15) 2_645 2_645 ? O6 Te1 OW3 100.05(15) 3_556 2_645 ? OH1 Te1 OW3 60.88(14) . 2_645 ? Fe3 Te1 OW3 59.65(10) . 2_645 ? O13 Te1 OW3 102.66(12) 4_565 2_645 ? Fe1 Te1 OW3 134.52(9) 2 2_645 ? Fe2 Te1 OW3 84.74(9) 2_646 2_645 ? OH3 Te1 OW3 76.67(13) 3_656 2_645 ? O8 Te1 OW3 36.69(13) 2_645 2_645 ? Fe1 Te1 OW3 171.07(10) 4_566 2_645 ? Te1 Te1 OW3 104.66(10) 3_556 2_645 ? Te2 Te1 OW3 118.40(10) 2_655 2_645 ? Te2 Te1 OW3 30.47(9) 2_645 2_645 ? Te3 Te1 OW3 61.22(10) 3_556 2_645 ? OW1 Te1 OW3 51.90(14) . 2_645 ? Fe2 Te1 OW3 107.59(10) 4_465 2_645 ? Te3 Te1 OW3 131.33(9) . 2_645 ? OW2 Te1 OW3 80.09(13) . 2_645 ? Te4 Te1 OW3 48.01(9) . 2_645 ? Te4 Te1 OW3 120.79(10) 4_566 2_645 ? Te3 Te1 OW3 91.80(9) 4_565 2_645 ? OH2 Te1 OW3 38.58(12) . 2_645 ? OW3 Te1 OW3 89.79(13) 2_655 2_645 ? Te2 Te1 OW3 147.37(10) 4_466 2_645 ? O8 Te2 O9 93.8(2) . . ? O8 Te2 O10 96.0(2) . . ? O9 Te2 O10 94.3(2) . . ? O8 Te2 OW3 85.4(2) . . ? O9 Te2 OW3 84.0(3) . . ? O10 Te2 OW3 177.9(3) . . ? O8 Te2 O3 175.3(2) . 1_554 ? O9 Te2 O3 87.0(2) . 1_554 ? O10 Te2 O3 79.3(2) . 1_554 ? OW3 Te2 O3 99.3(2) . 1_554 ? O8 Te2 O7 63.7(2) . 2_645 ? O9 Te2 O7 143.97(19) . 2_645 ? O10 Te2 O7 62.92(18) . 2_645 ? OW3 Te2 O7 119.2(2) . 2_645 ? O3 Te2 O7 113.23(16) 1_554 2_645 ? O8 Te2 O5 109.6(2) . 2_645 ? O9 Te2 O5 156.59(18) . 2_645 ? O10 Te2 O5 82.69(19) . 2_645 ? OW3 Te2 O5 98.4(2) . 2_645 ? O3 Te2 O5 69.63(16) 1_554 2_645 ? O7 Te2 O5 53.57(14) 2_645 2_645 ? O8 Te2 Fe1 27.60(17) . 1_655 ? O9 Te2 Fe1 116.22(16) . 1_655 ? O10 Te2 Fe1 78.65(15) . 1_655 ? OW3 Te2 Fe1 103.21(18) . 1_655 ? O3 Te2 Fe1 148.95(13) 1_554 1_655 ? O7 Te2 Fe1 36.27(10) 2_645 1_655 ? O5 Te2 Fe1 86.09(10) 2_645 1_655 ? O8 Te2 Fe2 102.87(18) . 1_554 ? O9 Te2 Fe2 67.71(17) . 1_554 ? O10 Te2 Fe2 27.27(16) . 1_554 ? OW3 Te2 Fe2 150.8(2) . 1_554 ? O3 Te2 Fe2 73.14(14) 1_554 1_554 ? O7 Te2 Fe2 89.16(10) 2_645 1_554 ? O5 Te2 Fe2 104.88(10) 2_645 1_554 ? Fe1 Te2 Fe2 95.87(3) 1_655 1_554 ? O8 Te2 Fe1 74.39(17) . 3_655 ? O9 Te2 Fe1 114.29(17) . 3_655 ? O10 Te2 Fe1 28.92(15) . 3_655 ? OW3 Te2 Fe1 153.2(2) . 3_655 ? O3 Te2 Fe1 101.04(14) 1_554 3_655 ? O7 Te2 Fe1 35.47(10) 2_645 3_655 ? O5 Te2 Fe1 72.91(10) 2_645 3_655 ? Fe1 Te2 Fe1 51.81(4) 1_655 3_655 ? Fe2 Te2 Fe1 53.83(3) 1_554 3_655 ? O8 Te2 Fe3 115.71(19) . 2_655 ? O9 Te2 Fe3 22.54(16) . 2_655 ? O10 Te2 Fe3 86.60(15) . 2_655 ? OW3 Te2 Fe3 91.4(2) . 2_655 ? O3 Te2 Fe3 64.73(13) 1_554 2_655 ? O7 Te2 Fe3 148.53(10) 2_645 2_655 ? O5 Te2 Fe3 134.29(10) 2_645 2_655 ? Fe1 Te2 Fe3 134.83(3) 1_655 2_655 ? Fe2 Te2 Fe3 59.70(3) 1_554 2_655 ? Fe1 Te2 Fe3 113.08(3) 3_655 2_655 ? O8 Te2 OH3 121.8(2) . 4_565 ? O9 Te2 OH3 47.62(18) . 4_565 ? O10 Te2 OH3 56.24(17) . 4_565 ? OW3 Te2 OH3 121.7(2) . 4_565 ? O3 Te2 OH3 55.82(16) 1_554 4_565 ? O7 Te2 OH3 119.15(13) 2_645 4_565 ? O5 Te2 OH3 114.76(13) 2_645 4_565 ? Fe1 Te2 OH3 124.58(8) 1_655 4_565 ? Fe2 Te2 OH3 31.11(8) 1_554 4_565 ? Fe1 Te2 OH3 84.47(9) 3_655 4_565 ? Fe3 Te2 OH3 31.51(9) 2_655 4_565 ? O8 Te2 O7 45.58(18) . 4_665 ? O9 Te2 O7 98.18(18) . 4_665 ? O10 Te2 O7 50.50(17) . 4_665 ? OW3 Te2 O7 130.92(18) . 4_665 ? O3 Te2 O7 129.71(16) 1_554 4_665 ? O7 Te2 O7 45.84(17) 2_645 4_665 ? O5 Te2 O7 97.70(13) 2_645 4_665 ? Fe1 Te2 O7 32.74(8) 1_655 4_665 ? Fe2 Te2 O7 63.33(8) 1_554 4_665 ? Fe1 Te2 O7 32.00(8) 3_655 4_665 ? Fe3 Te2 O7 109.06(9) 2_655 4_665 ? OH3 Te2 O7 92.01(11) 4_565 4_665 ? O8 Te2 O4 143.2(2) . 1_554 ? O9 Te2 O4 50.72(18) . 1_554 ? O10 Te2 O4 96.29(18) . 1_554 ? OW3 Te2 O4 81.7(2) . 1_554 ? O3 Te2 O4 38.93(15) 1_554 1_554 ? O7 Te2 O4 150.76(13) 2_645 1_554 ? O5 Te2 O4 106.34(14) 2_645 1_554 ? Fe1 Te2 O4 166.03(10) 1_655 1_554 ? Fe2 Te2 O4 75.05(10) 1_554 1_554 ? Fe1 Te2 O4 124.99(10) 3_655 1_554 ? Fe3 Te2 O4 31.23(10) 2_655 1_554 ? OH3 Te2 O4 44.58(13) 4_565 1_554 ? O7 Te2 O4 136.04(13) 4_665 1_554 ? O8 Te2 O6 75.8(2) . 2_655 ? O9 Te2 O6 53.21(19) . 2_655 ? O10 Te2 O6 48.34(18) . 2_655 ? OW3 Te2 O6 130.8(2) . 2_655 ? O3 Te2 O6 101.09(16) 1_554 2_655 ? O7 Te2 O6 92.48(13) 2_645 2_655 ? O5 Te2 O6 130.72(13) 2_645 2_655 ? Fe1 Te2 O6 79.90(8) 1_655 2_655 ? Fe2 Te2 O6 32.12(8) 1_554 2_655 ? Fe1 Te2 O6 61.31(9) 3_655 2_655 ? Fe3 Te2 O6 59.12(9) 2_655 2_655 ? OH3 Te2 O6 46.89(11) 4_565 2_655 ? O7 Te2 O6 50.06(11) 4_665 2_655 ? O4 Te2 O6 87.01(13) 1_554 2_655 ? O8 Te2 Te1 81.57(19) . 2_645 ? O9 Te2 Te1 173.37(16) . 2_645 ? O10 Te2 Te1 81.46(16) . 2_645 ? OW3 Te2 Te1 100.3(2) . 2_645 ? O3 Te2 Te1 97.21(13) 1_554 2_645 ? O7 Te2 Te1 29.41(10) 2_645 2_645 ? O5 Te2 Te1 28.26(10) 2_645 2_645 ? Fe1 Te2 Te1 58.03(2) 1_655 2_645 ? Fe2 Te2 Te1 108.53(3) 1_554 2_645 ? Fe1 Te2 Te1 59.93(2) 3_655 2_645 ? Fe3 Te2 Te1 160.06(3) 2_655 2_645 ? OH3 Te2 Te1 131.46(9) 4_565 2_645 ? O7 Te2 Te1 75.18(9) 4_665 2_645 ? O4 Te2 Te1 134.60(9) 1_554 2_645 ? O6 Te2 Te1 120.66(9) 2_655 2_645 ? O8 Te2 Te1 67.83(19) . 2_655 ? O9 Te2 Te1 33.84(16) . 2_655 ? O10 Te2 Te1 76.39(16) . 2_655 ? OW3 Te2 Te1 102.72(18) . 2_655 ? O3 Te2 Te1 111.10(13) 1_554 2_655 ? O7 Te2 Te1 110.42(11) 2_645 2_655 ? O5 Te2 Te1 158.36(10) 2_645 2_655 ? Fe1 Te2 Te1 84.47(3) 1_655 2_655 ? Fe2 Te2 Te1 56.99(2) 1_554 2_655 ? Fe1 Te2 Te1 85.98(3) 3_655 2_655 ? Fe3 Te2 Te1 50.47(3) 2_655 2_655 ? OH3 Te2 Te1 56.96(9) 4_565 2_655 ? O7 Te2 Te1 64.59(9) 4_665 2_655 ? O4 Te2 Te1 81.67(10) 1_554 2_655 ? O6 Te2 Te1 28.05(8) 2_655 2_655 ? Te1 Te2 Te1 139.57(3) 2_645 2_655 ? O8 Te2 S 165.26(18) . 1_554 ? O9 Te2 S 71.84(16) . 1_554 ? O10 Te2 S 88.69(15) . 1_554 ? OW3 Te2 S 89.59(18) . 1_554 ? O3 Te2 S 17.14(13) 1_554 1_554 ? O7 Te2 S 130.33(11) 2_645 1_554 ? O5 Te2 S 84.85(10) 2_645 1_554 ? Fe1 Te2 S 165.28(4) 1_655 1_554 ? Fe2 Te2 S 75.35(5) 1_554 1_554 ? Fe1 Te2 S 114.16(5) 3_655 1_554 ? Fe3 Te2 S 50.48(4) 2_655 1_554 ? OH3 Te2 S 50.52(9) 4_565 1_554 ? O7 Te2 S 137.90(9) 4_665 1_554 ? O4 Te2 S 22.07(10) 1_554 1_554 ? O6 Te2 S 97.36(9) 2_655 1_554 ? Te1 Te2 S 113.00(4) 2_645 1_554 ? Te1 Te2 S 99.96(4) 2_655 1_554 ? O8 Te2 OH1 74.0(2) . 2_645 ? O9 Te2 OH1 135.93(19) . 2_645 ? O10 Te2 OH1 128.46(18) . 2_645 ? OW3 Te2 OH1 53.5(2) . 2_645 ? O3 Te2 OH1 108.54(16) 1_554 2_645 ? O7 Te2 OH1 67.65(13) 2_645 2_645 ? O5 Te2 OH1 55.98(13) 2_645 2_645 ? Fe1 Te2 OH1 69.98(9) 1_655 2_645 ? Fe2 Te2 OH1 155.72(9) 1_554 2_645 ? Fe1 Te2 OH1 103.09(9) 3_655 2_645 ? Fe3 Te2 OH1 143.82(9) 2_655 2_645 ? OH3 Te2 OH1 164.07(12) 4_565 2_645 ? O7 Te2 OH1 101.83(12) 4_665 2_645 ? O4 Te2 OH1 122.13(13) 1_554 2_645 ? O6 Te2 OH1 148.95(12) 2_655 2_645 ? Te1 Te2 OH1 47.35(9) 2_645 2_645 ? Te1 Te2 OH1 136.65(9) 2_655 2_645 ? S Te2 OH1 113.69(9) 1_554 2_645 ? O8 Te2 Te4 132.19(16) . 3_655 ? O9 Te2 Te4 107.33(16) . 3_655 ? O10 Te2 Te4 41.46(16) . 3_655 ? OW3 Te2 Te4 137.96(16) . 3_655 ? O3 Te2 Te4 43.34(13) 1_554 3_655 ? O7 Te2 Te4 74.91(10) 2_645 3_655 ? O5 Te2 Te4 56.10(10) 2_645 3_655 ? Fe1 Te2 Te4 107.02(3) 1_655 3_655 ? Fe2 Te2 Te4 51.87(3) 1_554 3_655 ? Fe1 Te2 Te4 57.89(3) 3_655 3_655 ? Fe3 Te2 Te4 87.61(3) 2_655 3_655 ? OH3 Te2 Te4 59.94(9) 4_565 3_655 ? O7 Te2 Te4 88.43(8) 4_665 3_655 ? O4 Te2 Te4 76.00(9) 1_554 3_655 ? O6 Te2 Te4 83.41(8) 2_655 3_655 ? Te1 Te2 Te4 72.870(18) 2_645 3_655 ? Te1 Te2 Te4 108.598(19) 2_655 3_655 ? S Te2 Te4 58.26(4) 1_554 3_655 ? OH1 Te2 Te4 112.05(9) 2_645 3_655 ? O8 Te2 OW2 146.8(2) . 2_645 ? O9 Te2 OW2 118.91(18) . 2_645 ? O10 Te2 OW2 87.43(18) . 2_645 ? OW3 Te2 OW2 92.30(19) . 2_645 ? O3 Te2 OW2 33.46(15) 1_554 2_645 ? O7 Te2 OW2 89.26(13) 2_645 2_645 ? O5 Te2 OW2 37.99(12) 2_645 2_645 ? Fe1 Te2 OW2 123.86(8) 1_655 2_645 ? Fe2 Te2 OW2 95.23(9) 1_554 2_645 ? Fe1 Te2 OW2 95.14(9) 3_655 2_645 ? Fe3 Te2 OW2 97.45(8) 2_655 2_645 ? OH3 Te2 OW2 87.38(12) 4_565 2_645 ? O7 Te2 OW2 126.61(12) 4_665 2_645 ? O4 Te2 OW2 68.35(12) 1_554 2_645 ? O6 Te2 OW2 127.19(12) 2_655 2_645 ? Te1 Te2 OW2 66.24(8) 2_645 2_645 ? Te1 Te2 OW2 144.12(8) 2_655 2_645 ? S Te2 OW2 47.12(9) 1_554 2_645 ? OH1 Te2 OW2 78.07(12) 2_645 2_645 ? Te4 Te2 OW2 46.41(9) 3_655 2_645 ? O8 Te2 OW1 106.41(19) . 2_655 ? O9 Te2 OW1 24.10(19) . 2_655 ? O10 Te2 OW1 112.59(17) . 2_655 ? OW3 Te2 OW1 65.4(2) . 2_655 ? O3 Te2 OW1 76.04(15) 1_554 2_655 ? O7 Te2 OW1 167.35(13) 2_645 2_655 ? O5 Te2 OW1 138.98(13) 2_645 2_655 ? Fe1 Te2 OW1 133.08(8) 1_655 2_655 ? Fe2 Te2 OW1 85.38(8) 1_554 2_655 ? Fe1 Te2 OW1 136.92(9) 3_655 2_655 ? Fe3 Te2 OW1 26.43(8) 2_655 2_655 ? OH3 Te2 OW1 57.90(11) 4_565 2_655 ? O7 Te2 OW1 121.74(12) 4_665 2_655 ? O4 Te2 OW1 37.16(12) 1_554 2_655 ? O6 Te2 OW1 76.88(12) 2_655 2_655 ? Te1 Te2 OW1 162.37(9) 2_645 2_655 ? Te1 Te2 OW1 57.16(9) 2_655 2_655 ? S Te2 OW1 58.99(9) 1_554 2_655 ? OH1 Te2 OW1 118.78(12) 2_645 2_655 ? Te4 Te2 OW1 110.05(8) 3_655 2_655 ? OW2 Te2 OW1 102.57(12) 2_645 2_655 ? O8 Te2 Te3 19.26(18) . 4_665 ? O9 Te2 Te3 75.72(16) . 4_665 ? O10 Te2 Te3 103.60(16) . 4_665 ? OW3 Te2 Te3 77.21(16) . 4_665 ? O3 Te2 Te3 162.60(13) 1_554 4_665 ? O7 Te2 Te3 82.75(10) 2_645 4_665 ? O5 Te2 Te3 127.60(10) 2_645 4_665 ? Fe1 Te2 Te3 46.49(3) 1_655 4_665 ? Fe2 Te2 Te3 101.40(3) 1_554 4_665 ? Fe1 Te2 Te3 88.08(3) 3_655 4_665 ? Fe3 Te2 Te3 98.11(4) 2_655 4_665 ? OH3 Te2 Te3 111.18(9) 4_565 4_665 ? O7 Te2 Te3 56.50(8) 4_665 4_665 ? O4 Te2 Te3 124.00(10) 1_554 4_665 ? O6 Te2 Te3 70.17(8) 2_655 4_665 ? Te1 Te2 Te3 100.19(3) 2_645 4_665 ? Te1 Te2 Te3 54.294(15) 2_655 4_665 ? S Te2 Te3 146.05(4) 1_554 4_665 ? OH1 Te2 Te3 83.36(9) 2_645 4_665 ? Te4 Te2 Te3 144.481(19) 3_655 4_665 ? OW2 Te2 Te3 161.40(8) 2_645 4_665 ? OW1 Te2 Te3 87.15(8) 2_655 4_665 ? O8 Te2 OW1 118.3(2) . 2_645 ? O9 Te2 OW1 130.02(18) . 2_645 ? O10 Te2 OW1 116.90(18) . 2_645 ? OW3 Te2 OW1 63.61(19) . 2_645 ? O3 Te2 OW1 64.08(16) 1_554 2_645 ? O7 Te2 OW1 86.00(13) 2_645 2_645 ? O5 Te2 OW1 37.99(12) 2_645 2_645 ? Fe1 Te2 OW1 107.94(8) 1_655 2_645 ? Fe2 Te2 OW1 130.57(8) 1_554 2_645 ? Fe1 Te2 OW1 110.85(8) 3_655 2_645 ? Fe3 Te2 OW1 116.78(8) 2_655 2_645 ? OH3 Te2 OW1 119.82(12) 4_565 2_645 ? O7 Te2 OW1 131.77(12) 4_665 2_645 ? O4 Te2 OW1 85.99(13) 1_554 2_645 ? O6 Te2 OW1 162.70(11) 2_655 2_645 ? Te1 Te2 OW1 56.61(8) 2_645 2_645 ? Te1 Te2 OW1 162.91(8) 2_655 2_645 ? S Te2 OW1 71.06(9) 1_554 2_645 ? OH1 Te2 OW1 44.46(11) 2_645 2_645 ? Te4 Te2 OW1 79.55(7) 3_655 2_645 ? OW2 Te2 OW1 35.65(12) 2_645 2_645 ? OW1 Te2 OW1 106.19(12) 2_655 2_645 ? Te3 Te2 OW1 126.53(8) 4_665 2_645 ? O8 Te2 OH2 83.79(18) . 2_655 ? O9 Te2 OH2 45.91(18) . 2_655 ? O10 Te2 OH2 139.88(18) . 2_655 ? OW3 Te2 OH2 38.6(2) . 2_655 ? O3 Te2 OH2 100.05(15) 1_554 2_655 ? O7 Te2 OH2 144.25(12) 2_645 2_655 ? O5 Te2 OH2 135.24(12) 2_645 2_655 ? Fe1 Te2 OH2 110.90(7) 1_655 2_655 ? Fe2 Te2 OH2 113.61(8) 1_554 2_655 ? Fe1 Te2 OH2 149.88(7) 3_655 2_655 ? Fe3 Te2 OH2 58.50(8) 2_655 2_655 ? OH3 Te2 OH2 89.86(11) 4_565 2_655 ? O7 Te2 OH2 119.22(11) 4_665 2_655 ? O4 Te2 OH2 64.81(11) 1_554 2_655 ? O6 Te2 OH2 93.65(12) 2_655 2_655 ? Te1 Te2 OH2 137.47(7) 2_645 2_655 ? Te1 Te2 OH2 66.40(8) 2_655 2_655 ? S Te2 OH2 83.63(7) 1_554 2_655 ? OH1 Te2 OH2 90.22(12) 2_645 2_655 ? Te4 Te2 OH2 140.80(6) 3_655 2_655 ? OW2 Te2 OH2 114.16(11) 2_645 2_655 ? OW1 Te2 OH2 32.75(10) 2_655 2_655 ? Te3 Te2 OH2 66.48(7) 4_665 2_655 ? OW1 Te2 OH2 97.64(11) 2_645 2_655 ? O8 Te2 OH1 66.82(19) . 2_655 ? O9 Te2 OH1 33.02(17) . 2_655 ? O10 Te2 OH1 114.62(17) . 2_655 ? OW3 Te2 OH1 64.45(19) . 2_655 ? O3 Te2 OH1 115.42(14) 1_554 2_655 ? O7 Te2 OH1 129.62(12) 2_645 2_655 ? O5 Te2 OH1 162.32(12) 2_645 2_655 ? Fe1 Te2 OH1 93.62(7) 1_655 2_655 ? Fe2 Te2 OH1 92.74(7) 1_554 2_655 ? Fe1 Te2 OH1 120.34(7) 3_655 2_655 ? Fe3 Te2 OH1 54.61(7) 2_655 2_655 ? OH3 Te2 OH1 79.84(11) 4_565 2_655 ? O7 Te2 OH1 91.40(11) 4_665 2_655 ? O4 Te2 OH1 76.51(11) 1_554 2_655 ? O6 Te2 OH1 66.31(11) 2_655 2_655 ? Te1 Te2 OH1 145.29(7) 2_645 2_655 ? Te1 Te2 OH1 38.27(7) 2_655 2_655 ? S Te2 OH1 98.52(7) 1_554 2_655 ? OH1 Te2 OH1 107.36(12) 2_645 2_655 ? Te4 Te2 OH1 139.74(6) 3_655 2_655 ? OW2 Te2 OH1 140.42(11) 2_645 2_655 ? OW1 Te2 OH1 39.62(11) 2_655 2_655 ? Te3 Te2 OH1 47.56(6) 4_665 2_655 ? OW1 Te2 OH1 126.91(10) 2_645 2_655 ? OH2 Te2 OH1 29.76(10) 2_655 2_655 ? O8 Te2 Te1 48.47(17) . 4_665 ? O9 Te2 Te1 79.99(16) . 4_665 ? O10 Te2 Te1 51.54(15) . 4_665 ? OW3 Te2 Te1 129.14(16) . 4_665 ? O3 Te2 Te1 127.30(14) 1_554 4_665 ? O7 Te2 Te1 64.00(11) 2_645 4_665 ? O5 Te2 Te1 114.70(10) 2_645 4_665 ? Fe1 Te2 Te1 46.37(3) 1_655 4_665 ? Fe2 Te2 Te1 54.60(2) 1_554 4_665 ? Fe1 Te2 Te1 43.84(3) 3_655 4_665 ? Fe3 Te2 Te1 91.60(3) 2_655 4_665 ? OH3 Te2 Te1 79.03(8) 4_565 4_665 ? O7 Te2 Te1 18.22(8) 4_665 4_665 ? O4 Te2 Te1 120.59(10) 1_554 4_665 ? O6 Te2 Te1 33.60(8) 2_655 4_665 ? Te1 Te2 Te1 93.38(3) 2_645 4_665 ? Te1 Te2 Te1 46.554(13) 2_655 4_665 ? S Te2 Te1 128.97(4) 1_554 4_665 ? OH1 Te2 Te1 116.17(9) 2_645 4_665 ? Te4 Te2 Te1 92.889(17) 3_655 4_665 ? OW2 Te2 Te1 137.41(9) 2_645 4_665 ? OW1 Te2 Te1 103.69(9) 2_655 4_665 ? Te3 Te2 Te1 52.129(19) 4_665 4_665 ? OW1 Te2 Te1 149.98(8) 2_645 4_665 ? OH2 Te2 Te1 106.04(7) 2_655 4_665 ? OH1 Te2 Te1 76.64(7) 2_655 4_665 ? O8 Te2 Te3 32.68(19) . 3_656 ? O9 Te2 Te3 116.52(16) . 3_656 ? O10 Te2 Te3 115.13(15) . 3_656 ? OW3 Te2 Te3 66.83(19) . 3_656 ? O3 Te2 Te3 149.71(14) 1_554 3_656 ? O7 Te2 Te3 59.08(10) 2_645 3_656 ? O5 Te2 Te3 85.33(10) 2_645 3_656 ? Fe1 Te2 Te3 36.96(2) 1_655 3_656 ? Fe2 Te2 Te3 131.82(3) 1_554 3_656 ? Fe1 Te2 Te3 86.93(3) 3_655 3_656 ? Fe3 Te2 Te3 138.50(2) 2_655 3_656 ? OH3 Te2 Te3 154.44(9) 4_565 3_656 ? O7 Te2 Te3 68.71(8) 4_665 3_656 ? O4 Te2 Te3 147.84(10) 1_554 3_656 ? O6 Te2 Te3 108.26(8) 2_655 3_656 ? Te1 Te2 Te3 61.442(15) 2_645 3_656 ? Te1 Te2 Te3 98.50(2) 2_655 3_656 ? S Te2 Te3 152.76(4) 1_554 3_656 ? OH1 Te2 Te3 41.33(8) 2_645 3_656 ? Te4 Te2 Te3 132.48(3) 3_655 3_656 ? OW2 Te2 Te3 117.38(8) 2_645 3_656 ? OW1 Te2 Te3 117.44(8) 2_655 3_656 ? Te3 Te2 Te3 44.38(2) 4_665 3_656 ? OW1 Te2 Te3 85.73(8) 2_645 3_656 ? OH2 Te2 Te3 85.62(7) 2_655 3_656 ? OH1 Te2 Te3 83.90(7) 2_655 3_656 ? Te1 Te2 Te3 78.11(2) 4_665 3_656 ? O8 Te2 OH2 149.49(17) . 3_655 ? O9 Te2 OH2 95.27(17) . 3_655 ? O10 Te2 OH2 54.31(16) . 3_655 ? OW3 Te2 OH2 124.53(18) . 3_655 ? O3 Te2 OH2 25.84(15) 1_554 3_655 ? O7 Te2 OH2 92.89(12) 2_645 3_655 ? O5 Te2 OH2 64.12(12) 2_645 3_655 ? Fe1 Te2 OH2 125.44(7) 1_655 3_655 ? Fe2 Te2 OH2 54.85(7) 1_554 3_655 ? Fe1 Te2 OH2 75.31(7) 3_655 3_655 ? Fe3 Te2 OH2 73.58(8) 2_655 3_655 ? OH3 Te2 OH2 51.00(12) 4_565 3_655 ? O7 Te2 OH2 104.20(10) 4_665 3_655 ? O4 Te2 OH2 57.88(11) 1_554 3_655 ? O6 Te2 OH2 86.59(11) 2_655 3_655 ? Te1 Te2 OH2 86.47(7) 2_645 3_655 ? Te1 Te2 OH2 106.51(7) 2_655 3_655 ? S Te2 OH2 39.85(7) 1_554 3_655 ? OH1 Te2 OH2 116.82(11) 2_645 3_655 ? Te4 Te2 OH2 18.46(6) 3_655 3_655 ? OW2 Te2 OH2 40.64(11) 2_645 3_655 ? OW1 Te2 OH2 93.26(10) 2_655 3_655 ? Te3 Te2 OH2 156.05(7) 4_665 3_655 ? OW1 Te2 OH2 76.29(10) 2_645 3_655 ? OH2 Te2 OH2 122.61(10) 2_655 3_655 ? OH1 Te2 OH2 128.13(10) 2_655 3_655 ? Te1 Te2 OH2 104.87(7) 4_665 3_655 ? Te3 Te2 OH2 147.91(7) 3_656 3_655 ? O8 Te2 Te4 63.60(17) . 2_655 ? O9 Te2 Te4 50.38(16) . 2_655 ? O10 Te2 Te4 133.82(16) . 2_655 ? OW3 Te2 Te4 45.55(18) . 2_655 ? O3 Te2 Te4 120.05(13) 1_554 2_655 ? O7 Te2 Te4 126.03(10) 2_645 2_655 ? O5 Te2 Te4 141.96(10) 2_645 2_655 ? Fe1 Te2 Te4 91.00(3) 1_655 2_655 ? Fe2 Te2 Te4 113.15(4) 1_554 2_655 ? Fe1 Te2 Te4 131.89(2) 3_655 2_655 ? Fe3 Te2 Te4 69.27(3) 2_655 2_655 ? OH3 Te2 Te4 97.98(9) 4_565 2_655 ? O7 Te2 Te4 100.05(8) 4_665 2_655 ? O4 Te2 Te4 83.11(9) 1_554 2_655 ? O6 Te2 Te4 85.66(9) 2_655 2_655 ? Te1 Te2 Te4 130.06(2) 2_645 2_655 ? Te1 Te2 Te4 57.75(2) 2_655 2_655 ? S Te2 Te4 103.27(4) 1_554 2_655 ? OH1 Te2 Te4 87.44(9) 2_645 2_655 ? Te4 Te2 Te4 156.842(16) 3_655 2_655 ? OW2 Te2 Te4 132.91(9) 2_645 2_655 ? OW1 Te2 Te4 47.33(8) 2_655 2_655 ? Te3 Te2 Te4 46.064(19) 4_665 2_655 ? OW1 Te2 Te4 109.14(8) 2_645 2_655 ? OH2 Te2 Te4 20.42(6) 2_655 2_655 ? OH1 Te2 Te4 20.41(6) 2_655 2_655 ? Te1 Te2 Te4 89.17(2) 4_665 2_655 ? Te3 Te2 Te4 70.47(3) 3_656 2_655 ? OH2 Te2 Te4 140.55(7) 3_655 2_655 ? O8 Te2 OW2 120.9(2) . 2_655 ? O9 Te2 OW2 28.07(17) . 2_655 ? O10 Te2 OW2 84.37(17) . 2_655 ? OW3 Te2 OW2 93.6(2) . 2_655 ? O3 Te2 OW2 59.36(15) 1_554 2_655 ? O7 Te2 OW2 147.16(12) 2_645 2_655 ? O5 Te2 OW2 128.83(12) 2_645 2_655 ? Fe1 Te2 OW2 138.70(7) 1_655 2_655 ? Fe2 Te2 OW2 58.02(8) 1_554 2_655 ? Fe1 Te2 OW2 111.82(8) 3_655 2_655 ? Fe3 Te2 OW2 5.54(6) 2_655 2_655 ? OH3 Te2 OW2 28.37(11) 4_565 2_655 ? O7 Te2 OW2 111.05(11) 4_665 2_655 ? O4 Te2 OW2 27.34(11) 1_554 2_655 ? O6 Te2 OW2 61.00(11) 2_655 2_655 ? Te1 Te2 OW2 154.63(7) 2_645 2_655 ? Te1 Te2 OW2 54.87(7) 2_655 2_655 ? S Te2 OW2 45.51(7) 1_554 2_655 ? OH1 Te2 OW2 144.50(11) 2_645 2_655 ? Te4 Te2 OW2 82.57(7) 3_655 2_655 ? OW2 Te2 OW2 92.27(10) 2_645 2_655 ? OW1 Te2 OW2 29.87(11) 2_655 2_655 ? Te3 Te2 OW2 103.55(7) 4_665 2_655 ? OW1 Te2 OW2 113.33(10) 2_645 2_655 ? OH2 Te2 OW2 62.47(10) 2_655 2_655 ? OH1 Te2 OW2 60.07(9) 2_655 2_655 ? Te1 Te2 OW2 94.13(7) 4_665 2_655 ? Te3 Te2 OW2 143.91(6) 3_656 2_655 ? OH2 Te2 OW2 68.18(10) 3_655 2_655 ? Te4 Te2 OW2 74.27(7) 2_655 2_655 ? O8 Te2 OH3 64.74(18) . . ? O9 Te2 OH3 90.59(18) . . ? O10 Te2 OH3 160.44(16) . . ? OW3 Te2 OH3 21.22(18) . . ? O3 Te2 OH3 119.92(15) 1_554 . ? O7 Te2 OH3 102.94(12) 2_645 . ? O5 Te2 OH3 99.96(12) 2_645 . ? Fe1 Te2 OH3 82.18(6) 1_655 . ? Fe2 Te2 OH3 154.91(7) 1_554 . ? Fe1 Te2 OH3 133.38(6) 3_655 . ? Fe3 Te2 OH3 104.43(7) 2_655 . ? OH3 Te2 OH3 135.92(9) 4_565 . ? O7 Te2 OH3 110.06(9) 4_665 . ? O4 Te2 OH3 101.45(11) 1_554 . ? O6 Te2 OH3 124.10(10) 2_655 . ? Te1 Te2 OH3 91.74(6) 2_645 . ? Te1 Te2 OH3 97.99(6) 2_655 . ? S Te2 OH3 110.81(7) 1_554 . ? OH1 Te2 OH3 45.66(11) 2_645 . ? Te4 Te2 OH3 152.43(6) 3_655 . ? OW2 Te2 OH3 106.68(11) 2_645 . ? OW1 Te2 OH3 78.14(10) 2_655 . ? Te3 Te2 OH3 59.37(6) 4_665 . ? OW1 Te2 OH3 72.88(9) 2_645 . ? OH2 Te2 OH3 46.13(9) 2_655 . ? OH1 Te2 OH3 62.57(9) 2_655 . ? Te1 Te2 OH3 111.12(6) 4_665 . ? Te3 Te2 OH3 46.48(6) 3_656 . ? OH2 Te2 OH3 144.00(9) 3_655 . ? Te4 Te2 OH3 42.22(7) 2_655 . ? OW2 Te2 OH3 107.97(9) 2_655 . ? O8 Te2 OH3 120.34(19) . 4 ? O9 Te2 OH3 143.90(17) . 4 ? O10 Te2 OH3 72.35(17) . 4 ? OW3 Te2 OH3 108.34(19) . 4 ? O3 Te2 OH3 58.00(14) 1_554 4 ? O7 Te2 OH3 58.97(11) 2_645 4 ? O5 Te2 OH3 14.85(11) 2_645 4 ? Fe1 Te2 OH3 94.40(6) 1_655 4 ? Fe2 Te2 OH3 91.79(7) 1_554 4 ? Fe1 Te2 OH3 69.10(6) 3_655 4 ? Fe3 Te2 OH3 121.41(7) 2_655 4 ? OH3 Te2 OH3 99.92(11) 4_565 4 ? O7 Te2 OH3 98.27(10) 4_665 4 ? O4 Te2 OH3 96.45(11) 1_554 4 ? O6 Te2 OH3 120.52(10) 2_655 4 ? Te1 Te2 OH3 39.41(6) 2_645 4 ? Te1 Te2 OH3 148.29(6) 2_655 4 ? S Te2 OH3 74.40(6) 1_554 4 ? OH1 Te2 OH3 70.54(11) 2_645 4 ? Te4 Te2 OH3 41.54(6) 3_655 4 ? OW2 Te2 OH3 30.40(10) 2_645 4 ? OW1 Te2 OH3 132.50(10) 2_655 4 ? Te3 Te2 OH3 139.38(5) 4_665 4 ? OW1 Te2 OH3 44.94(9) 2_645 4 ? OH2 Te2 OH3 140.96(9) 2_655 4 ? OH1 Te2 OH3 170.33(8) 2_655 4 ? Te1 Te2 OH3 112.90(6) 4_665 4 ? Te3 Te2 OH3 99.38(6) 3_656 4 ? OH2 Te2 OH3 49.48(9) 3_655 4 ? Te4 Te2 OH3 153.80(6) 2_655 4 ? OW2 Te2 OH3 115.87(9) 2_655 4 ? OH3 Te2 OH3 113.29(6) . 4 ? O8 Te2 Te4 74.54(19) . 2_645 ? O9 Te2 Te4 128.51(17) . 2_645 ? O10 Te2 Te4 136.07(16) . 2_645 ? OW3 Te2 Te4 45.8(2) . 2_645 ? O3 Te2 Te4 108.53(14) 1_554 2_645 ? O7 Te2 Te4 74.86(10) 2_645 2_645 ? O5 Te2 Te4 61.88(10) 2_645 2_645 ? Fe1 Te2 Te4 74.11(3) 1_655 2_645 ? Fe2 Te2 Te4 163.35(2) 1_554 2_645 ? Fe1 Te2 Te4 110.34(3) 3_655 2_645 ? Fe3 Te2 Te4 136.54(3) 2_655 2_645 ? OH3 Te2 Te4 161.31(8) 4_565 2_645 ? O7 Te2 Te4 106.60(8) 4_665 2_645 ? O4 Te2 Te4 117.11(10) 1_554 2_645 ? O6 Te2 Te4 150.35(8) 2_655 2_645 ? Te1 Te2 Te4 54.93(2) 2_645 2_645 ? Te1 Te2 Te4 132.92(2) 2_655 2_645 ? S Te2 Te4 111.35(4) 1_554 2_645 ? OH1 Te2 Te4 7.62(9) 2_645 2_645 ? Te4 Te2 Te4 117.56(3) 3_655 2_645 ? OW2 Te2 Te4 80.16(9) 2_645 2_645 ? OW1 Te2 Te4 111.21(8) 2_655 2_645 ? Te3 Te2 Te4 81.54(3) 4_665 2_645 ? OW1 Te2 Te4 45.13(8) 2_645 2_645 ? OH2 Te2 Te4 82.70(8) 2_655 2_645 ? OH1 Te2 Te4 101.01(7) 2_655 2_645 ? Te1 Te2 Te4 119.485(16) 4_665 2_645 ? Te3 Te2 Te4 42.235(16) 3_656 2_645 ? OH2 Te2 Te4 120.16(8) 3_655 2_645 ? Te4 Te2 Te4 80.83(4) 2_655 2_645 ? OW2 Te2 Te4 137.65(7) 2_655 2_645 ? OH3 Te2 Te4 38.72(7) . 2_645 ? OH3 Te2 Te4 76.09(7) 4 2_645 ? O11 Te3 O12 94.1(2) . . ? O11 Te3 O13 92.7(2) . . ? O12 Te3 O13 94.0(2) . . ? O11 Te3 O6 69.54(19) . . ? O12 Te3 O6 83.52(19) . . ? O13 Te3 O6 161.79(18) . . ? O11 Te3 O12 78.7(2) . 2_546 ? O12 Te3 O12 159.23(10) . 2_546 ? O13 Te3 O12 67.25(19) . 2_546 ? O6 Te3 O12 111.43(16) . 2_546 ? O11 Te3 O8 145.5(2) . 4_466 ? O12 Te3 O8 65.65(19) . 4_466 ? O13 Te3 O8 115.30(19) . 4_466 ? O6 Te3 O8 80.14(16) . 4_466 ? O12 Te3 O8 129.38(15) 2_546 4_466 ? O11 Te3 O14 140.1(2) . 3_556 ? O12 Te3 O14 120.9(2) . 3_556 ? O13 Te3 O14 68.10(18) . 3_556 ? O6 Te3 O14 128.41(15) . 3_556 ? O12 Te3 O14 61.74(15) 2_546 3_556 ? O8 Te3 O14 72.60(15) 4_466 3_556 ? O11 Te3 O13 60.48(19) . 2_546 ? O12 Te3 O13 137.50(18) . 2_546 ? O13 Te3 O13 118.83(18) . 2_546 ? O6 Te3 O13 56.69(15) . 2_546 ? O12 Te3 O13 54.74(14) 2_546 2_546 ? O8 Te3 O13 115.38(15) 4_466 2_546 ? O14 Te3 O13 97.39(14) 3_556 2_546 ? O11 Te3 Fe2 33.64(16) . 2_646 ? O12 Te3 Fe2 100.24(16) . 2_646 ? O13 Te3 Fe2 124.78(15) . 2_646 ? O6 Te3 Fe2 39.09(11) . 2_646 ? O12 Te3 Fe2 84.64(11) 2_546 2_646 ? O8 Te3 Fe2 119.22(12) 4_466 2_646 ? O14 Te3 Fe2 137.00(12) 3_556 2_646 ? O13 Te3 Fe2 39.60(9) 2_546 2_646 ? O11 Te3 O11 142.74(16) . 2_556 ? O12 Te3 O11 67.12(19) . 2_556 ? O13 Te3 O11 58.81(18) . 2_556 ? O6 Te3 O11 134.50(15) . 2_556 ? O12 Te3 O11 107.21(14) 2_546 2_556 ? O8 Te3 O11 56.66(15) 4_466 2_556 ? O14 Te3 O11 55.20(15) 3_556 2_556 ? O13 Te3 O11 152.27(13) 2_546 2_556 ? Fe2 Te3 O11 167.35(10) 2_646 2_556 ? O11 Te3 Fe1 75.16(16) . 3_556 ? O12 Te3 Fe1 123.23(15) . 3_556 ? O13 Te3 Fe1 33.80(16) . 3_556 ? O6 Te3 Fe1 137.09(12) . 3_556 ? O12 Te3 Fe1 36.17(11) 2_546 3_556 ? O8 Te3 Fe1 139.16(11) 4_466 3_556 ? O14 Te3 Fe1 69.80(11) 3_556 3_556 ? O13 Te3 Fe1 85.03(9) 2_546 3_556 ? Fe2 Te3 Fe1 99.27(4) 2_646 3_556 ? O11 Te3 Fe1 88.39(10) 2_556 3_556 ? O11 Te3 Fe1 117.24(17) . 4_566 ? O12 Te3 Fe1 30.95(15) . 4_566 ? O13 Te3 Fe1 111.31(16) . 4_566 ? O6 Te3 Fe1 75.11(12) . 4_566 ? O12 Te3 Fe1 163.95(11) 2_546 4_566 ? O8 Te3 Fe1 35.46(11) 4_466 4_566 ? O14 Te3 Fe1 102.50(11) 3_556 4_566 ? O13 Te3 Fe1 129.83(9) 2_546 4_566 ? Fe2 Te3 Fe1 107.60(4) 2_646 4_566 ? O11 Te3 Fe1 61.69(10) 2_556 4_566 ? Fe1 Te3 Fe1 145.10(4) 3_556 4_566 ? O11 Te3 Fe2 128.58(16) . 1_455 ? O12 Te3 Fe2 97.24(16) . 1_455 ? O13 Te3 Fe2 36.66(15) . 1_455 ? O6 Te3 Fe2 161.53(11) . 1_455 ? O12 Te3 Fe2 73.26(11) 2_546 1_455 ? O8 Te3 Fe2 83.38(12) 4_466 1_455 ? O14 Te3 Fe2 36.72(11) 3_556 1_455 ? O13 Te3 Fe2 125.25(9) 2_546 1_455 ? Fe2 Te3 Fe2 155.74(3) 2_646 1_455 ? O11 Te3 Fe2 34.39(10) 2_556 1_455 ? Fe1 Te3 Fe2 56.81(3) 3_556 1_455 ? Fe1 Te3 Fe2 96.04(4) 4_566 1_455 ? O11 Te3 OH1 52.2(2) . 4_566 ? O12 Te3 OH1 55.78(18) . 4_566 ? O13 Te3 OH1 64.60(18) . 4_566 ? O6 Te3 OH1 99.72(14) . 4_566 ? O12 Te3 OH1 105.94(14) 2_546 4_566 ? O8 Te3 OH1 120.88(15) 4_466 4_566 ? O14 Te3 OH1 131.84(14) 3_556 4_566 ? O13 Te3 OH1 112.56(14) 2_546 4_566 ? Fe2 Te3 OH1 80.46(10) 2_646 4_566 ? O11 Te3 OH1 91.77(14) 2_556 4_566 ? Fe1 Te3 OH1 76.02(9) 3_556 4_566 ? Fe1 Te3 OH1 86.72(10) 4_566 4_566 ? Fe2 Te3 OH1 95.85(10) 1_455 4_566 ? O11 Te3 Te3 57.97(17) . 2_546 ? O12 Te3 Te3 152.06(16) . 2_546 ? O13 Te3 Te3 88.90(16) . 2_546 ? O6 Te3 Te3 85.19(12) . 2_546 ? O12 Te3 Te3 28.25(11) 2_546 2_546 ? O8 Te3 Te3 136.85(12) 4_466 2_546 ? O14 Te3 Te3 85.93(11) 3_556 2_546 ? O13 Te3 Te3 29.94(9) 2_546 2_546 ? Fe2 Te3 Te3 56.56(3) 2_646 2_546 ? O11 Te3 Te3 135.45(10) 2_556 2_546 ? Fe1 Te3 Te3 55.09(2) 3_556 2_546 ? Fe1 Te3 Te3 159.75(3) 4_566 2_546 ? Fe2 Te3 Te3 101.45(3) 1_455 2_546 ? OH1 Te3 Te3 101.45(10) 4_566 2_546 ? O11 Te3 Te3 116.37(17) . 2_556 ? O12 Te3 Te3 44.92(16) . 2_556 ? O13 Te3 Te3 56.25(16) . 2_556 ? O6 Te3 Te3 127.18(12) . 2_556 ? O12 Te3 Te3 121.30(11) 2_546 2_556 ? O8 Te3 Te3 69.71(12) 4_466 2_556 ? O14 Te3 Te3 82.64(11) 3_556 2_556 ? O13 Te3 Te3 174.72(9) 2_546 2_556 ? Fe2 Te3 Te3 140.09(3) 2_646 2_556 ? O11 Te3 Te3 28.91(10) 2_556 2_556 ? Fe1 Te3 Te3 90.04(3) 3_556 2_556 ? Fe1 Te3 Te3 55.06(3) 4_566 2_556 ? Fe2 Te3 Te3 52.58(2) 1_455 2_556 ? OH1 Te3 Te3 64.21(10) 4_566 2_556 ? Te3 Te3 Te3 145.10(3) 2_546 2_556 ? O11 Te3 OH1 110.0(2) . 3_556 ? O12 Te3 OH1 150.38(18) . 3_556 ? O13 Te3 OH1 101.53(17) . 3_556 ? O6 Te3 OH1 88.96(14) . 3_556 ? O12 Te3 OH1 48.14(13) 2_546 3_556 ? O8 Te3 OH1 84.86(14) 4_466 3_556 ? O14 Te3 OH1 46.44(14) 3_556 3_556 ? O13 Te3 OH1 52.66(13) 2_546 3_556 ? Fe2 Te3 OH1 91.49(10) 2_646 3_556 ? O11 Te3 OH1 99.70(14) 2_556 3_556 ? Fe1 Te3 OH1 80.78(8) 3_556 3_556 ? Fe1 Te3 OH1 119.49(9) 4_566 3_556 ? Fe2 Te3 OH1 81.29(9) 1_455 3_556 ? OH1 Te3 OH1 153.77(13) 4_566 3_556 ? Te3 Te3 OH1 54.35(9) 2_546 3_556 ? Te3 Te3 OH1 128.38(9) 2_556 3_556 ? O11 Te3 Te1 104.53(17) . 3_556 ? O12 Te3 Te1 111.31(15) . 3_556 ? O13 Te3 Te1 147.80(15) . 3_556 ? O6 Te3 Te1 46.88(11) . 3_556 ? O12 Te3 Te1 89.41(11) 2_546 3_556 ? O8 Te3 Te1 62.30(12) 4_466 3_556 ? O14 Te3 Te1 81.56(11) 3_556 3_556 ? O13 Te3 Te1 53.09(9) 2_546 3_556 ? Fe2 Te3 Te1 71.47(3) 2_646 3_556 ? O11 Te3 Te1 112.18(9) 2_556 3_556 ? Fe1 Te3 Te1 125.41(4) 3_556 3_556 ? Fe1 Te3 Te1 84.90(4) 4_566 3_556 ? Fe2 Te3 Te1 117.16(3) 1_455 3_556 ? OH1 Te3 Te1 146.59(9) 4_566 3_556 ? Te3 Te3 Te1 78.10(3) 2_546 3_556 ? Te3 Te3 Te1 131.97(2) 2_556 3_556 ? OH1 Te3 Te1 47.18(8) 3_556 3_556 ? O11 Te3 Te4 63.08(18) . 4_566 ? O12 Te3 Te4 32.06(16) . 4_566 ? O13 Te3 Te4 87.52(15) . 4_566 ? O6 Te3 Te4 80.77(11) . 4_566 ? O12 Te3 Te4 133.10(10) 2_546 4_566 ? O8 Te3 Te4 96.76(11) 4_466 4_566 ? O14 Te3 Te4 144.21(11) 3_556 4_566 ? O13 Te3 Te4 117.65(9) 2_546 4_566 ? Fe2 Te3 Te4 78.32(4) 2_646 4_566 ? O11 Te3 Te4 90.08(10) 2_556 4_566 ? Fe1 Te3 Te4 104.37(3) 3_556 4_566 ? Fe1 Te3 Te4 61.31(3) 4_566 4_566 ? Fe2 Te3 Te4 109.55(4) 1_455 4_566 ? OH1 Te3 Te4 28.46(9) 4_566 4_566 ? Te3 Te3 Te4 120.66(3) 2_546 4_566 ? Te3 Te3 Te4 61.78(2) 2_556 4_566 ? OH1 Te3 Te4 169.15(9) 3_556 4_566 ? Te1 Te3 Te4 124.47(2) 3_556 4_566 ? O11 Te3 Te4 118.26(17) . 3_556 ? O12 Te3 Te4 145.71(16) . 3_556 ? O13 Te3 Te4 74.69(15) . 3_556 ? O6 Te3 Te4 116.81(11) . 3_556 ? O12 Te3 Te4 40.28(10) 2_546 3_556 ? O8 Te3 Te4 89.71(11) 4_466 3_556 ? O14 Te3 Te4 24.88(11) 3_556 3_556 ? O13 Te3 Te4 73.63(9) 2_546 3_556 ? Fe2 Te3 Te4 112.90(4) 2_646 3_556 ? O11 Te3 Te4 79.59(10) 2_556 3_556 ? Fe1 Te3 Te4 61.20(2) 3_556 3_556 ? Fe1 Te3 Te4 123.71(3) 4_566 3_556 ? Fe2 Te3 Te4 54.57(3) 1_455 3_556 ? OH1 Te3 Te4 136.39(9) 4_566 3_556 ? Te3 Te3 Te4 61.52(2) 2_546 3_556 ? Te3 Te3 Te4 105.62(3) 2_556 3_556 ? OH1 Te3 Te4 27.85(8) 3_556 3_556 ? Te1 Te3 Te4 73.21(2) 3_556 3_556 ? Te4 Te3 Te4 162.156(17) 4_566 3_556 ? O11 Te3 Te1 79.70(16) . . ? O12 Te3 Te1 66.36(15) . . ? O13 Te3 Te1 158.04(15) . . ? O6 Te3 Te1 18.81(12) . . ? O12 Te3 Te1 129.99(11) 2_546 . ? O8 Te3 Te1 66.76(11) 4_466 . ? O14 Te3 Te1 129.61(10) 3_556 . ? O13 Te3 Te1 75.36(9) 2_546 . ? Fe2 Te3 Te1 54.37(2) 2_646 . ? O11 Te3 Te1 117.10(9) 2_556 . ? Fe1 Te3 Te1 153.53(3) 3_556 . ? Fe1 Te3 Te1 56.46(3) 4_566 . ? Fe2 Te3 Te1 149.66(3) 1_455 . ? OH1 Te3 Te1 95.06(9) 4_566 . ? Te3 Te3 Te1 103.99(2) 2_546 . ? Te3 Te3 Te1 108.709(19) 2_556 . ? OH1 Te3 Te1 100.43(8) 3_556 . ? Te1 Te3 Te1 53.85(2) 3_556 . ? Te4 Te3 Te1 70.644(19) 4_566 . ? Te4 Te3 Te1 127.046(18) 3_556 . ? O11 Te3 OH3 30.36(18) . 3_656 ? O12 Te3 OH3 76.72(18) . 3_656 ? O13 Te3 OH3 118.24(17) . 3_656 ? O6 Te3 OH3 43.61(13) . 3_656 ? O12 Te3 OH3 103.72(13) 2_546 3_656 ? O8 Te3 OH3 115.14(13) 4_466 3_656 ? O14 Te3 OH3 161.85(14) 3_556 3_656 ? O13 Te3 OH3 64.51(12) 2_546 3_656 ? Fe2 Te3 OH3 24.92(8) 2_646 3_656 ? O11 Te3 OH3 142.94(13) 2_556 3_656 ? Fe1 Te3 OH3 105.50(8) 3_556 3_656 ? Fe1 Te3 OH3 91.07(8) 4_566 3_656 ? Fe2 Te3 OH3 154.50(8) 1_455 3_656 ? OH1 Te3 OH3 60.06(12) 4_566 3_656 ? Te3 Te3 OH3 77.48(8) 2_546 3_656 ? Te3 Te3 OH3 115.25(8) 2_556 3_656 ? OH1 Te3 OH3 116.16(12) 3_556 3_656 ? Te1 Te3 OH3 87.80(8) 3_556 3_656 ? Te4 Te3 OH3 53.48(8) 4_566 3_656 ? Te4 Te3 OH3 137.27(8) 3_556 3_656 ? Te1 Te3 OH3 49.96(7) . 3_656 ? O11 Te3 Te2 149.65(16) . 4_466 ? O12 Te3 Te2 77.93(16) . 4_466 ? O13 Te3 Te2 116.80(15) . 4_466 ? O6 Te3 Te2 80.41(11) . 4_466 ? O12 Te3 Te2 117.70(10) 2_546 4_466 ? O8 Te3 Te2 12.29(11) 4_466 4_466 ? O14 Te3 Te2 64.24(11) 3_556 4_466 ? O13 Te3 Te2 106.37(9) 2_546 4_466 ? Fe2 Te3 Te2 118.32(3) 2_646 4_466 ? O11 Te3 Te2 60.56(9) 2_556 4_466 ? Fe1 Te3 Te2 133.60(3) 3_556 4_466 ? Fe1 Te3 Te2 47.55(2) 4_566 4_466 ? Fe2 Te3 Te2 81.71(3) 1_455 4_466 ? OH1 Te3 Te2 133.10(10) 4_566 4_466 ? Te3 Te3 Te2 125.07(2) 2_546 4_466 ? Te3 Te3 Te2 78.44(3) 2_556 4_466 ? OH1 Te3 Te2 72.57(9) 3_556 4_466 ? Te1 Te3 Te2 53.86(3) 3_556 4_466 ? Te4 Te3 Te2 108.84(3) 4_566 4_466 ? Te4 Te3 Te2 78.79(3) 3_556 4_466 ? Te1 Te3 Te2 70.24(3) . 4_466 ? OH3 Te3 Te2 120.15(7) 3_656 4_466 ? O11 Te3 OW3 172.4(2) . 4_466 ? O12 Te3 OW3 93.49(19) . 4_466 ? O13 Te3 OW3 86.43(19) . 4_466 ? O6 Te3 OW3 111.69(15) . 4_466 ? O12 Te3 OW3 94.03(15) 2_546 4_466 ? O8 Te3 OW3 39.88(14) 4_466 4_466 ? O14 Te3 OW3 33.18(14) 3_556 4_466 ? O13 Te3 OW3 113.46(15) 2_546 4_466 ? Fe2 Te3 OW3 144.33(12) 2_646 4_466 ? O11 Te3 OW3 41.62(15) 2_556 4_466 ? Fe1 Te3 OW3 100.33(10) 3_556 4_466 ? Fe1 Te3 OW3 69.96(10) 4_566 4_466 ? Fe2 Te3 OW3 49.85(11) 1_455 4_466 ? OH1 Te3 OW3 133.29(16) 4_566 4_466 ? Te3 Te3 OW3 114.44(11) 2_546 4_466 ? Te3 Te3 OW3 69.28(12) 2_556 4_466 ? OH1 Te3 OW3 62.86(15) 3_556 4_466 ? Te1 Te3 OW3 72.88(12) 3_556 4_466 ? Te4 Te3 OW3 124.38(12) 4_566 4_466 ? Te4 Te3 OW3 54.26(10) 3_556 4_466 ? Te1 Te3 OW3 103.69(10) . 4_466 ? OH3 Te3 OW3 153.65(12) 3_656 4_466 ? Te2 Te3 OW3 33.56(10) 4_466 4_466 ? O11 Te3 Te1 76.67(16) . 4_566 ? O12 Te3 Te1 76.61(15) . 4_566 ? O13 Te3 Te1 24.75(15) . 4_566 ? O6 Te3 Te1 139.18(11) . 4_566 ? O12 Te3 Te1 82.75(11) 2_546 4_566 ? O8 Te3 Te1 121.21(12) 4_466 4_566 ? O14 Te3 Te1 92.28(11) 3_556 4_566 ? O13 Te3 Te1 122.88(9) 2_546 4_566 ? Fe2 Te3 Te1 110.28(3) 2_646 4_566 ? O11 Te3 Te1 67.96(9) 2_556 4_566 ? Fe1 Te3 Te1 46.63(3) 3_556 4_566 ? Fe1 Te3 Te1 101.94(4) 4_566 4_566 ? Fe2 Te3 Te1 57.91(3) 1_455 4_566 ? OH1 Te3 Te1 39.91(9) 4_566 4_566 ? Te3 Te3 Te1 96.00(3) 2_546 4_566 ? Te3 Te3 Te1 51.884(15) 2_556 4_566 ? OH1 Te3 Te1 124.57(8) 3_556 4_566 ? Te1 Te3 Te1 171.704(16) 3_556 4_566 ? Te4 Te3 Te1 63.542(17) 4_566 4_566 ? Te4 Te3 Te1 98.91(2) 3_556 4_566 ? Te1 Te3 Te1 134.02(2) . 4_566 ? OH3 Te3 Te1 96.67(7) 3_656 4_566 ? Te2 Te3 Te1 128.08(3) 4_466 4_566 ? OW3 Te3 Te1 104.85(12) 4_466 4_566 ? O11 Te3 OW3 14.27(19) . 3_656 ? O12 Te3 OW3 88.51(19) . 3_656 ? O13 Te3 OW3 80.03(18) . 3_656 ? O6 Te3 OW3 81.87(14) . 3_656 ? O12 Te3 OW3 79.84(15) 2_546 3_656 ? O8 Te3 OW3 149.89(15) 4_466 3_656 ? O14 Te3 OW3 136.92(15) 3_556 3_656 ? O13 Te3 OW3 72.91(13) 2_546 3_656 ? Fe2 Te3 OW3 47.74(9) 2_646 3_656 ? O11 Te3 OW3 128.65(13) 2_556 3_656 ? Fe1 Te3 OW3 67.61(10) 3_556 3_656 ? Fe1 Te3 OW3 116.02(11) 4_566 3_656 ? Fe2 Te3 OW3 116.57(10) 1_455 3_656 ? OH1 Te3 OW3 39.90(14) 4_566 3_656 ? Te3 Te3 OW3 64.60(10) 2_546 3_656 ? Te3 Te3 OW3 103.44(10) 2_556 3_656 ? OH1 Te3 OW3 118.79(14) 3_556 3_656 ? Te1 Te3 OW3 118.80(9) 3_556 3_656 ? Te4 Te3 OW3 56.46(11) 4_566 3_656 ? Te4 Te3 OW3 120.03(11) 3_556 3_656 ? Te1 Te3 OW3 89.42(10) . 3_656 ? OH3 Te3 OW3 39.60(12) 3_656 3_656 ? Te2 Te3 OW3 158.75(10) 4_466 3_656 ? OW3 Te3 OW3 166.42(6) 4_466 3_656 ? Te1 Te3 OW3 62.55(9) 4_566 3_656 ? O11 Te3 OH3 140.40(17) . 4_466 ? O12 Te3 OH3 98.04(18) . 4_466 ? O13 Te3 OH3 49.05(16) . 4_466 ? O6 Te3 OH3 149.16(12) . 4_466 ? O12 Te3 OH3 76.69(13) 2_546 4_466 ? O8 Te3 OH3 72.73(13) 4_466 4_466 ? O14 Te3 OH3 28.13(13) 3_556 4_466 ? O13 Te3 OH3 123.54(11) 2_546 4_466 ? Fe2 Te3 OH3 161.20(7) 2_646 4_466 ? O11 Te3 OH3 31.23(12) 2_556 4_466 ? Fe1 Te3 OH3 66.63(7) 3_556 4_466 ? Fe1 Te3 OH3 90.41(7) 4_566 4_466 ? Fe2 Te3 OH3 12.39(6) 1_455 4_466 ? OH1 Te3 OH3 106.59(12) 4_566 4_466 ? Te3 Te3 OH3 104.66(7) 2_546 4_466 ? Te3 Te3 OH3 55.60(7) 2_556 4_466 ? OH1 Te3 OH3 74.47(11) 3_556 4_466 ? Te1 Te3 OH3 105.75(7) 3_556 4_466 ? Te4 Te3 OH3 116.29(7) 4_566 4_466 ? Te4 Te3 OH3 50.04(7) 3_556 4_466 ? Te1 Te3 OH3 139.48(6) . 4_466 ? OH3 Te3 OH3 166.45(6) 3_656 4_466 ? Te2 Te3 OH3 69.95(7) 4_466 4_466 ? OW3 Te3 OH3 37.55(12) 4_466 4_466 ? Te1 Te3 OH3 69.85(6) 4_566 4_466 ? OW3 Te3 OH3 128.87(11) 3_656 4_466 ? O11 Te3 OH2 133.64(19) . 3_556 ? O12 Te3 OH2 132.25(17) . 3_556 ? O13 Te3 OH2 84.82(17) . 3_556 ? O6 Te3 OH2 110.23(13) . 3_556 ? O12 Te3 OH2 57.67(12) 2_546 3_556 ? O8 Te3 OH2 71.94(13) 4_466 3_556 ? O14 Te3 OH2 19.48(13) 3_556 3_556 ? O13 Te3 OH2 80.40(12) 2_546 3_556 ? Fe2 Te3 OH2 119.44(8) 2_646 3_556 ? O11 Te3 OH2 71.88(12) 2_556 3_556 ? Fe1 Te3 OH2 77.79(7) 3_556 3_556 ? Fe1 Te3 OH2 106.51(7) 4_566 3_556 ? Fe2 Te3 OH2 56.09(7) 1_455 3_556 ? OH1 Te3 OH2 149.40(11) 4_566 3_556 ? Te3 Te3 OH2 75.68(7) 2_546 3_556 ? Te3 Te3 OH2 100.44(8) 2_556 3_556 ? OH1 Te3 OH2 27.95(11) 3_556 3_556 ? Te1 Te3 OH2 63.54(7) 3_556 3_556 ? Te4 Te3 OH2 161.85(8) 4_566 3_556 ? Te4 Te3 OH2 17.89(7) 3_556 3_556 ? Te1 Te3 OH2 115.33(7) . 3_556 ? OH3 Te3 OH2 144.00(11) 3_656 3_556 ? Te2 Te3 OH2 60.90(7) 4_466 3_556 ? OW3 Te3 OH2 38.77(13) 4_466 3_556 ? Te1 Te3 OH2 109.54(7) 4_566 3_556 ? OW3 Te3 OH2 137.47(13) 3_656 3_556 ? OH3 Te3 OH2 47.45(10) 4_466 3_556 ? O11 Te3 Te2 40.28(16) . 3_656 ? O12 Te3 Te2 103.22(15) . 3_656 ? O13 Te3 Te2 53.39(15) . 3_656 ? O6 Te3 Te2 109.53(11) . 3_656 ? O12 Te3 Te2 58.93(10) 2_546 3_656 ? O8 Te3 Te2 164.98(12) 4_466 3_656 ? O14 Te3 Te2 107.54(11) 3_556 3_656 ? O13 Te3 Te2 79.62(9) 2_546 3_656 ? Fe2 Te3 Te2 71.40(3) 2_646 3_656 ? O11 Te3 Te2 110.51(9) 2_556 3_656 ? Fe1 Te3 Te2 37.74(2) 3_556 3_656 ? Fe1 Te3 Te2 134.17(3) 4_566 3_656 ? Fe2 Te3 Te2 88.34(3) 1_455 3_656 ? OH1 Te3 Te2 47.49(10) 4_566 3_656 ? Te3 Te3 Te2 57.180(16) 2_546 3_656 ? Te3 Te3 Te2 95.31(3) 2_556 3_656 ? OH1 Te3 Te2 106.29(9) 3_556 3_656 ? Te1 Te3 Te2 132.70(3) 3_556 3_656 ? Te4 Te3 Te2 74.22(2) 4_566 3_656 ? Te4 Te3 Te2 95.68(2) 3_556 3_656 ? Te1 Te3 Te2 119.43(3) . 3_656 ? OH3 Te3 Te2 69.47(7) 3_656 3_656 ? Te2 Te3 Te2 170.040(13) 4_466 3_656 ? OW3 Te3 Te2 136.87(10) 4_466 3_656 ? Te1 Te3 Te2 44.11(2) 4_566 3_656 ? OW3 Te3 Te2 30.22(10) 3_656 3_656 ? OH3 Te3 Te2 100.14(7) 4_466 3_656 ? OH2 Te3 Te2 113.40(7) 3_556 3_656 ? O14 Te4 OH1 98.6(3) . . ? O14 Te4 OH2 92.4(3) . . ? OH1 Te4 OH2 85.3(3) . . ? O14 Te4 O12 81.0(2) . 4_565 ? OH1 Te4 O12 78.7(2) . 4_565 ? OH2 Te4 O12 161.6(2) . 4_565 ? O14 Te4 O3 93.0(2) . 3_656 ? OH1 Te4 O3 159.1(2) . 3_656 ? OH2 Te4 O3 76.8(2) . 3_656 ? O12 Te4 O3 120.46(16) 4_565 3_656 ? O14 Te4 O10 63.39(19) . 3_655 ? OH1 Te4 O10 138.06(19) . 3_655 ? OH2 Te4 O10 130.1(2) . 3_655 ? O12 Te4 O10 61.82(15) 4_565 3_655 ? O3 Te4 O10 62.82(15) 3_656 3_655 ? O14 Te4 Fe2 28.71(17) . 3_656 ? OH1 Te4 Fe2 123.13(18) . 3_656 ? OH2 Te4 Fe2 107.5(2) . 3_656 ? O12 Te4 Fe2 74.40(12) 4_565 3_656 ? O3 Te4 Fe2 73.48(13) 3_656 3_656 ? O10 Te4 Fe2 35.47(10) 3_655 3_656 ? O14 Te4 OW2 141.3(2) . 4_565 ? OH1 Te4 OW2 116.9(2) . 4_565 ? OH2 Te4 OW2 76.4(2) . 4_565 ? O12 Te4 OW2 119.16(15) 4_565 4_565 ? O3 Te4 OW2 48.47(17) 3_656 4_565 ? O10 Te4 OW2 95.59(14) 3_655 4_565 ? Fe2 Te4 OW2 119.99(11) 3_656 4_565 ? O14 Te4 O5 124.66(19) . 4_565 ? OH1 Te4 O5 122.8(2) . 4_565 ? OH2 Te4 O5 123.1(2) . 4_565 ? O12 Te4 O5 74.07(14) 4_565 4_565 ? O3 Te4 O5 61.47(15) 3_656 4_565 ? O10 Te4 O5 61.27(13) 3_655 4_565 ? Fe2 Te4 O5 96.34(10) 3_656 4_565 ? OW2 Te4 O5 47.23(13) 4_565 4_565 ? O14 Te4 O11 122.5(2) . 4_565 ? OH1 Te4 O11 51.14(19) . 4_565 ? OH2 Te4 O11 124.7(2) . 4_565 ? O12 Te4 O11 49.44(15) 4_565 4_565 ? O3 Te4 O11 133.52(15) 3_656 4_565 ? O10 Te4 O11 104.70(13) 3_655 4_565 ? Fe2 Te4 O11 123.78(9) 3_656 4_565 ? OW2 Te4 O11 93.18(14) 4_565 4_565 ? O5 Te4 O11 73.23(12) 4_565 4_565 ? O14 Te4 OH3 162.99(19) . 2_655 ? OH1 Te4 OH3 82.4(2) . 2_655 ? OH2 Te4 OH3 104.6(2) . 2_655 ? O12 Te4 OH3 82.62(14) 4_565 2_655 ? O3 Te4 OH3 91.49(15) 3_656 2_655 ? O10 Te4 OH3 104.63(13) 3_655 2_655 ? Fe2 Te4 OH3 140.00(9) 3_656 2_655 ? OW2 Te4 OH3 47.13(13) 4_565 2_655 ? O5 Te4 OH3 45.25(12) 4_565 2_655 ? O11 Te4 OH3 46.04(12) 4_565 2_655 ? O14 Te4 O2 78.9(2) . 3_656 ? OH1 Te4 O2 126.8(2) . 3_656 ? OH2 Te4 O2 42.3(2) . 3_656 ? O12 Te4 O2 149.54(17) 4_565 3_656 ? O3 Te4 O2 39.07(15) 3_656 3_656 ? O10 Te4 O2 88.64(15) 3_655 3_656 ? Fe2 Te4 O2 76.97(15) 3_656 3_656 ? OW2 Te4 O2 67.81(18) 4_565 3_656 ? O5 Te4 O2 99.20(15) 4_565 3_656 ? O11 Te4 O2 158.02(18) 4_565 3_656 ? OH3 Te4 O2 114.15(17) 2_655 3_656 ? O14 Te4 Fe1 69.83(17) . . ? OH1 Te4 Fe1 106.83(17) . . ? OH2 Te4 Fe1 159.5(2) . . ? O12 Te4 Fe1 29.07(12) 4_565 . ? O3 Te4 Fe1 93.44(12) 3_656 . ? O10 Te4 Fe1 32.76(9) 3_655 . ? Fe2 Te4 Fe1 52.06(3) 3_656 . ? OW2 Te4 Fe1 110.73(10) 4_565 . ? O5 Te4 Fe1 64.40(9) 4_565 . ? O11 Te4 Fe1 75.02(9) 4_565 . ? OH3 Te4 Fe1 93.55(8) 2_655 . ? O2 Te4 Fe1 121.05(12) 3_656 . ? O14 Te4 S 87.90(18) . 3_656 ? OH1 Te4 S 145.52(17) . 3_656 ? OH2 Te4 S 60.46(19) . 3_656 ? O12 Te4 S 135.73(12) 4_565 3_656 ? O3 Te4 S 17.40(12) 3_656 3_656 ? O10 Te4 S 74.83(10) 3_655 3_656 ? Fe2 Te4 S 75.53(5) 3_656 3_656 ? OW2 Te4 S 54.16(11) 4_565 3_656 ? O5 Te4 S 77.82(9) 4_565 3_656 ? O11 Te4 S 146.48(9) 4_565 3_656 ? OH3 Te4 S 100.91(9) 2_655 3_656 ? O2 Te4 S 21.77(11) 3_656 3_656 ? Fe1 Te4 S 107.19(4) . 3_656 ? O14 Te4 OH3 41.37(19) . 2_645 ? OH1 Te4 OH3 137.0(2) . 2_645 ? OH2 Te4 OH3 82.5(2) . 2_645 ? O12 Te4 OH3 102.94(14) 4_565 2_645 ? O3 Te4 OH3 51.68(15) 3_656 2_645 ? O10 Te4 OH3 49.94(12) 3_655 2_645 ? Fe2 Te4 OH3 29.28(8) 3_656 2_645 ? OW2 Te4 OH3 99.97(13) 4_565 2_645 ? O5 Te4 OH3 98.06(12) 4_565 2_645 ? O11 Te4 OH3 152.18(11) 4_565 2_645 ? OH3 Te4 OH3 140.56(15) 2_655 2_645 ? O2 Te4 OH3 47.73(16) 3_656 2_645 ? Fe1 Te4 OH3 77.41(8) . 2_645 ? S Te4 OH3 48.38(8) 3_656 2_645 ? O14 Te4 Te3 98.08(18) . 4_565 ? OH1 Te4 Te3 61.60(17) . 4_565 ? OH2 Te4 Te3 146.39(19) . 4_565 ? O12 Te4 Te3 22.54(12) 4_565 4_565 ? O3 Te4 Te3 133.83(12) 3_656 4_565 ? O10 Te4 Te3 82.73(10) 3_655 4_565 ? Fe2 Te4 Te3 96.45(4) 3_656 4_565 ? OW2 Te4 Te3 111.76(10) 4_565 4_565 ? O5 Te4 Te3 75.63(9) 4_565 4_565 ? O11 Te4 Te3 27.41(9) 4_565 4_565 ? OH3 Te4 Te3 67.32(8) 2_655 4_565 ? O2 Te4 Te3 171.29(11) 3_656 4_565 ? Fe1 Te4 Te3 50.47(3) . 4_565 ? S Te4 Te3 151.20(4) 3_656 4_565 ? OH3 Te4 Te3 125.34(8) 2_645 4_565 ? O14 Te4 Te3 42.09(18) . 3_556 ? OH1 Te4 Te3 72.84(18) . 3_556 ? OH2 Te4 Te3 121.90(19) . 3_556 ? O12 Te4 Te3 44.14(12) 4_565 3_556 ? O3 Te4 Te3 126.08(13) 3_656 3_556 ? O10 Te4 Te3 69.14(9) 3_655 3_556 ? Fe2 Te4 Te3 53.01(2) 3_656 3_556 ? OW2 Te4 Te3 161.00(10) 4_565 3_556 ? O5 Te4 Te3 113.86(9) 4_565 3_556 ? O11 Te4 Te3 80.50(9) 4_565 3_556 ? OH3 Te4 Te3 124.00(8) 2_655 3_556 ? O2 Te4 Te3 121.02(16) 3_656 3_556 ? Fe1 Te4 Te3 50.37(3) . 3_556 ? S Te4 Te3 127.53(4) 3_656 3_556 ? OH3 Te4 Te3 79.17(8) 2_645 3_556 ? Te3 Te4 Te3 56.70(3) 4_565 3_556 ? O14 Te4 OW3 37.0(2) . 2_645 ? OH1 Te4 OW3 93.2(2) . 2_645 ? OH2 Te4 OW3 55.5(2) . 2_645 ? O12 Te4 OW3 115.84(17) 4_565 2_645 ? O3 Te4 OW3 85.70(17) 3_656 2_645 ? O10 Te4 OW3 91.74(17) 3_655 2_645 ? Fe2 Te4 OW3 57.71(14) 3_656 2_645 ? OW2 Te4 OW3 120.84(15) 4_565 2_645 ? O5 Te4 OW3 143.96(16) 4_565 2_645 ? O11 Te4 OW3 140.76(15) 4_565 2_645 ? OH3 Te4 OW3 159.94(15) 2_655 2_645 ? O2 Te4 OW3 53.76(18) 3_656 2_645 ? Fe1 Te4 OW3 106.44(13) . 2_645 ? S Te4 OW3 71.91(12) 3_656 2_645 ? OH3 Te4 OW3 46.74(16) 2_645 2_645 ? Te3 Te4 OW3 127.40(11) 4_565 2_645 ? Te3 Te4 OW3 72.42(11) 3_556 2_645 ? O14 Te4 OW1 92.34(19) . . ? OH1 Te4 OW1 51.7(2) . . ? OH2 Te4 OW1 34.1(2) . . ? O12 Te4 OW1 128.45(14) 4_565 . ? O3 Te4 OW1 110.86(15) 3_656 . ? O10 Te4 OW1 153.33(14) 3_655 . ? Fe2 Te4 OW1 118.62(10) 3_656 . ? OW2 Te4 OW1 97.63(13) 4_565 . ? O5 Te4 OW1 141.33(13) 4_565 . ? O11 Te4 OW1 97.59(13) 4_565 . ? OH3 Te4 OW1 101.34(13) 2_655 . ? O2 Te4 OW1 75.20(14) 3_656 . ? Fe1 Te4 OW1 150.88(8) . . ? S Te4 OW1 94.50(10) 3_656 . ? OH3 Te4 OW1 104.76(13) 2_645 . ? Te3 Te4 OW1 113.25(9) 4_565 . ? Te3 Te4 OW1 100.94(8) 3_556 . ? OW3 Te4 OW1 61.61(17) 2_645 . ? O14 Te4 Te2 82.20(17) . 3_655 ? OH1 Te4 Te2 157.27(17) . 3_655 ? OH2 Te4 Te2 117.36(19) . 3_655 ? O12 Te4 Te2 78.99(11) 4_565 3_655 ? O3 Te4 Te2 41.69(12) 3_656 3_655 ? O10 Te4 Te2 24.84(9) 3_655 3_655 ? Fe2 Te4 Te2 53.68(2) 3_656 3_655 ? OW2 Te4 Te2 71.11(10) 4_565 3_655 ? O5 Te4 Te2 45.28(9) 4_565 3_655 ? O11 Te4 Te2 109.39(8) 4_565 3_655 ? OH3 Te4 Te2 90.39(8) 2_655 3_655 ? O2 Te4 Te2 75.81(10) 3_656 3_655 ? Fe1 Te4 Te2 51.91(2) . 3_655 ? S Te4 Te2 57.01(4) 3_656 3_655 ? OH3 Te4 Te2 53.72(8) 2_645 3_655 ? Te3 Te4 Te2 95.72(2) 4_565 3_655 ? Te3 Te4 Te2 93.96(2) 3_556 3_655 ? OW3 Te4 Te2 100.46(14) 2_645 3_655 ? OW1 Te4 Te2 151.01(10) . 3_655 ? O14 Te4 Fe3 149.21(17) . 4_565 ? OH1 Te4 Fe3 109.44(19) . 4_565 ? OH2 Te4 Fe3 102.05(19) . 4_565 ? O12 Te4 Fe3 92.04(12) 4_565 4_565 ? O3 Te4 Fe3 64.71(13) 3_656 4_565 ? O10 Te4 Fe3 86.80(10) 3_655 4_565 ? Fe2 Te4 Fe3 120.55(4) 3_656 4_565 ? OW2 Te4 Fe3 27.56(10) 4_565 4_565 ? O5 Te4 Fe3 26.53(9) 4_565 4_565 ? O11 Te4 Fe3 70.25(9) 4_565 4_565 ? OH3 Te4 Fe3 27.35(8) 2_655 4_565 ? O2 Te4 Fe3 93.62(14) 3_656 4_565 ? Fe1 Te4 Fe3 89.58(3) . 4_565 ? S Te4 Fe3 76.29(5) 3_656 4_565 ? OH3 Te4 Fe3 113.38(9) 2_645 4_565 ? Te3 Te4 Fe3 84.77(3) 4_565 4_565 ? Te3 Te4 Fe3 135.83(2) 3_556 4_565 ? OW3 Te4 Fe3 147.38(11) 2_645 4_565 ? OW1 Te4 Fe3 114.82(9) . 4_565 ? Te2 Te4 Fe3 67.02(3) 3_655 4_565 ? O14 Te4 OW3 140.3(2) . 2_655 ? OH1 Te4 OW3 42.6(2) . 2_655 ? OH2 Te4 OW3 78.7(2) . 2_655 ? O12 Te4 OW3 95.33(16) 4_565 2_655 ? O3 Te4 OW3 121.54(17) 3_656 2_655 ? O10 Te4 OW3 147.25(14) 3_655 2_655 ? Fe2 Te4 OW3 164.95(11) 3_656 2_655 ? OW2 Te4 OW3 74.49(15) 4_565 2_655 ? O5 Te4 OW3 91.20(14) 4_565 2_655 ? O11 Te4 OW3 46.53(13) 4_565 2_655 ? OH3 Te4 OW3 45.96(13) 2_655 2_655 ? O2 Te4 OW3 114.70(17) 3_656 2_655 ? Fe1 Te4 OW3 121.42(10) . 2_655 ? S Te4 OW3 118.93(11) 3_656 2_655 ? OH3 Te4 OW3 161.18(13) 2_645 2_655 ? Te3 Te4 OW3 72.80(10) 4_565 2_655 ? Te3 Te4 OW3 111.99(11) 3_556 2_655 ? OW3 Te4 OW3 120.3(2) 2_645 2_655 ? OW1 Te4 OW3 59.21(14) . 2_655 ? Te2 Te4 OW3 136.22(10) 3_655 2_655 ? Fe3 Te4 OW3 69.89(11) 4_565 2_655 ? O14 Te4 Te1 72.49(17) . . ? OH1 Te4 Te1 26.11(19) . . ? OH2 Te4 Te1 86.14(18) . . ? O12 Te4 Te1 75.47(11) 4_565 . ? O3 Te4 Te1 157.26(12) 3_656 . ? O10 Te4 Te1 121.52(9) 3_655 . ? Fe2 Te4 Te1 97.97(2) 3_656 . ? OW2 Te4 Te1 141.37(10) 4_565 . ? O5 Te4 Te1 141.25(9) 4_565 . ? O11 Te4 Te1 68.86(8) 4_565 . ? OH3 Te4 Te1 107.49(8) 2_655 . ? O2 Te4 Te1 119.06(11) 3_656 . ? Fe1 Te4 Te1 97.65(3) . . ? S Te4 Te1 140.73(4) 3_656 . ? OH3 Te4 Te1 111.71(8) 2_645 . ? Te3 Te4 Te1 67.108(19) 4_565 . ? Te3 Te4 Te1 52.378(15) 3_556 . ? OW3 Te4 Te1 72.15(12) 2_645 . ? OW1 Te4 Te1 54.08(8) . . ? Te2 Te4 Te1 146.34(2) 3_655 . ? Fe3 Te4 Te1 134.83(3) 4_565 . ? OW3 Te4 Te1 68.38(11) 2_655 . ? O14 Te4 Te1 116.99(17) . 4_565 ? OH1 Te4 Te1 111.62(18) . 4_565 ? OH2 Te4 Te1 141.75(19) . 4_565 ? O12 Te4 Te1 54.83(11) 4_565 4_565 ? O3 Te4 Te1 77.69(12) 3_656 4_565 ? O10 Te4 Te1 57.04(10) 3_655 4_565 ? Fe2 Te4 Te1 91.86(4) 3_656 4_565 ? OW2 Te4 Te1 65.35(10) 4_565 4_565 ? O5 Te4 Te1 19.34(8) 4_565 4_565 ? O11 Te4 Te1 60.50(8) 4_565 4_565 ? OH3 Te4 Te1 48.31(8) 2_655 4_565 ? O2 Te4 Te1 116.59(11) 3_656 4_565 ? Fe1 Te4 Te1 49.29(2) . 4_565 ? S Te4 Te1 94.83(4) 3_656 4_565 ? OH3 Te4 Te1 103.15(8) 2_645 4_565 ? Te3 Te4 Te1 57.326(17) 4_565 4_565 ? Te3 Te4 Te1 96.18(2) 3_556 4_565 ? OW3 Te4 Te1 148.65(13) 2_645 4_565 ? OW1 Te4 Te1 149.48(10) . 4_565 ? Te2 Te4 Te1 50.20(3) 3_655 4_565 ? Fe3 Te4 Te1 40.64(2) 4_565 4_565 ? OW3 Te4 Te1 90.99(11) 2_655 4_565 ? Te1 Te4 Te1 124.30(2) . 4_565 ? O14 Te4 Te2 39.81(16) . 2_645 ? OH1 Te4 Te2 67.24(19) . 2_645 ? OH2 Te4 Te2 66.75(19) . 2_645 ? O12 Te4 Te2 98.20(12) 4_565 2_645 ? O3 Te4 Te2 114.05(13) 3_656 2_645 ? O10 Te4 Te2 103.17(10) 3_655 2_645 ? Fe2 Te4 Te2 68.31(3) 3_656 2_645 ? OW2 Te4 Te2 142.64(10) 4_565 2_645 ? O5 Te4 Te2 164.40(9) 4_565 2_645 ? O11 Te4 Te2 112.39(9) 4_565 2_645 ? OH3 Te4 Te2 148.69(8) 2_655 2_645 ? O2 Te4 Te2 80.51(13) 3_656 2_645 ? Fe1 Te4 Te2 102.21(3) . 2_645 ? S Te4 Te2 100.00(4) 3_656 2_645 ? OH3 Te4 Te2 70.06(8) 2_645 2_645 ? Te3 Te4 Te2 102.54(2) 4_565 2_645 ? Te3 Te4 Te2 55.152(15) 3_556 2_645 ? OW3 Te4 Te2 28.38(12) 2_645 2_645 ? OW1 Te4 Te2 53.88(9) . 2_645 ? Te2 Te4 Te2 120.63(3) 3_655 2_645 ? Fe3 Te4 Te2 168.21(2) 4_565 2_645 ? OW3 Te4 Te2 103.15(11) 2_655 2_645 ? Te1 Te4 Te2 44.10(2) . 2_645 ? Te1 Te4 Te2 151.018(17) 4_565 2_645 ? O14 Te4 OW2 86.51(19) . 3_656 ? OH1 Te4 OW2 101.81(18) . 3_656 ? OH2 Te4 OW2 16.8(2) . 3_656 ? O12 Te4 OW2 167.37(14) 4_565 3_656 ? O3 Te4 OW2 61.48(14) 3_656 3_656 ? O10 Te4 OW2 113.58(12) 3_655 3_656 ? Fe2 Te4 OW2 95.24(7) 3_656 3_656 ? OW2 Te4 OW2 72.10(10) 4_565 3_656 ? O5 Te4 OW2 114.96(11) 4_565 3_656 ? O11 Te4 OW2 139.86(11) 4_565 3_656 ? OH3 Te4 OW2 109.99(10) 2_655 3_656 ? O2 Te4 OW2 25.47(13) 3_656 3_656 ? Fe1 Te4 OW2 144.99(7) . 3_656 ? S Te4 OW2 44.50(8) 3_656 3_656 ? OH3 Te4 OW2 67.91(10) 2_645 3_656 ? Te3 Te4 OW2 163.21(7) 4_565 3_656 ? Te3 Te4 OW2 123.68(7) 3_556 3_656 ? OW3 Te4 OW2 51.60(13) 2_645 3_656 ? OW1 Te4 OW2 50.20(11) . 3_656 ? Te2 Te4 OW2 100.91(7) 3_655 3_656 ? Fe3 Te4 OW2 99.56(7) 4_565 3_656 ? OW3 Te4 OW2 93.33(12) 2_655 3_656 ? Te1 Te4 OW2 99.35(7) . 3_656 ? Te1 Te4 OW2 134.25(7) 4_565 3_656 ? Te2 Te4 OW2 70.83(7) 2_645 3_656 ? O14 Te4 OW1 133.68(18) . 4_565 ? OH1 Te4 OW1 127.2(2) . 4_565 ? OH2 Te4 OW1 97.30(19) . 4_565 ? O12 Te4 OW1 99.70(13) 4_565 4_565 ? O3 Te4 OW1 46.52(15) 3_656 4_565 ? O10 Te4 OW1 76.13(12) 3_655 4_565 ? Fe2 Te4 OW1 106.32(8) 3_656 4_565 ? OW2 Te4 OW1 22.30(12) 4_565 4_565 ? O5 Te4 OW1 25.79(10) 4_565 4_565 ? O11 Te4 OW1 87.67(11) 4_565 4_565 ? OH3 Te4 OW1 45.71(11) 2_655 4_565 ? O2 Te4 OW1 78.53(15) 3_656 4_565 ? Fe1 Te4 OW1 88.43(7) . 4_565 ? S Te4 OW1 59.32(8) 3_656 4_565 ? OH3 Te4 OW1 95.25(11) 2_645 4_565 ? Te3 Te4 OW1 98.17(7) 4_565 4_565 ? Te3 Te4 OW1 138.76(6) 3_556 4_565 ? OW3 Te4 OW1 131.23(13) 2_645 4_565 ? OW1 Te4 OW1 119.80(11) . 4_565 ? Te2 Te4 OW1 53.19(7) 3_655 4_565 ? Fe3 Te4 OW1 18.40(7) 4_565 4_565 ? OW3 Te4 OW1 85.99(13) 2_655 4_565 ? Te1 Te4 OW1 153.04(7) . 4_565 ? Te1 Te4 OW1 44.87(6) 4_565 4_565 ? Te2 Te4 OW1 159.04(7) 2_645 4_565 ? OW2 Te4 OW1 90.04(10) 3_656 4_565 ? O14 Te4 Te2 114.32(17) . 2_655 ? OH1 Te4 Te2 15.87(18) . 2_655 ? OH2 Te4 Te2 83.02(19) . 2_655 ? O12 Te4 Te2 84.09(12) 4_565 2_655 ? O3 Te4 Te2 146.64(13) 3_656 2_655 ? O10 Te4 Te2 145.91(9) 3_655 2_655 ? Fe2 Te4 Te2 138.77(3) 3_656 2_655 ? OW2 Te4 Te2 101.17(11) 4_565 2_655 ? O5 Te4 Te2 111.19(10) 4_565 2_655 ? O11 Te4 Te2 45.34(8) 4_565 2_655 ? OH3 Te4 Te2 68.07(9) 2_655 2_655 ? O2 Te4 Te2 125.16(11) 3_656 2_655 ? Fe1 Te4 Te2 113.15(3) . 2_655 ? S Te4 Te2 138.54(3) 3_656 2_655 ? OH3 Te4 Te2 150.69(8) 2_645 2_655 ? Te3 Te4 Te2 63.543(19) 4_565 2_655 ? Te3 Te4 Te2 87.16(2) 3_556 2_655 ? OW3 Te4 Te2 104.43(14) 2_645 2_655 ? OW1 Te4 Te2 52.40(10) . 2_655 ? Te2 Te4 Te2 154.189(16) 3_655 2_655 ? Fe3 Te4 Te2 94.50(4) 4_565 2_655 ? OW3 Te4 Te2 26.76(11) 2_655 2_655 ? Te1 Te4 Te2 41.865(18) . 2_655 ? Te1 Te4 Te2 104.01(3) 4_565 2_655 ? Te2 Te4 Te2 80.83(4) 2_645 2_655 ? OW2 Te4 Te2 99.83(7) 3_656 2_655 ? OW1 Te4 Te2 111.78(8) 4_565 2_655 ? O8 Fe1 O12 88.2(2) 1_455 4_565 ? O8 Fe1 O7 87.0(2) 1_455 2_545 ? O12 Fe1 O7 171.8(2) 4_565 2_545 ? O8 Fe1 O13 108.1(2) 1_455 3_556 ? O12 Fe1 O13 85.4(2) 4_565 3_556 ? O7 Fe1 O13 89.7(2) 2_545 3_556 ? O8 Fe1 O7 88.9(2) 1_455 4_565 ? O12 Fe1 O7 102.6(2) 4_565 4_565 ? O7 Fe1 O7 84.0(2) 2_545 4_565 ? O13 Fe1 O7 161.5(2) 3_556 4_565 ? O8 Fe1 O10 171.8(2) 1_455 3_655 ? O12 Fe1 O10 93.4(2) 4_565 3_655 ? O7 Fe1 O10 92.3(2) 2_545 3_655 ? O13 Fe1 O10 80.0(2) 3_556 3_655 ? O7 Fe1 O10 82.9(2) 4_565 3_655 ? O8 Fe1 Te3 91.75(16) 1_455 3_556 ? O12 Fe1 Te3 57.48(16) 4_565 3_556 ? O7 Fe1 Te3 115.94(15) 2_545 3_556 ? O13 Fe1 Te3 31.31(14) 3_556 3_556 ? O7 Fe1 Te3 160.03(15) 4_565 3_556 ? O10 Fe1 Te3 95.88(14) 3_655 3_556 ? O8 Fe1 Te3 59.73(16) 1_455 4_565 ? O12 Fe1 Te3 29.51(15) 4_565 4_565 ? O7 Fe1 Te3 146.73(16) 2_545 4_565 ? O13 Fe1 Te3 101.16(15) 3_556 4_565 ? O7 Fe1 Te3 93.48(16) 4_565 4_565 ? O10 Fe1 Te3 120.44(15) 3_655 4_565 ? Te3 Fe1 Te3 69.85(3) 3_556 4_565 ? O8 Fe1 Te2 26.42(16) 1_455 1_455 ? O12 Fe1 Te2 114.67(15) 4_565 1_455 ? O7 Fe1 Te2 60.78(16) 2_545 1_455 ? O13 Fe1 Te2 108.36(15) 3_556 1_455 ? O7 Fe1 Te2 83.64(15) 4_565 1_455 ? O10 Fe1 Te2 150.96(15) 3_655 1_455 ? Te3 Fe1 Te2 105.30(3) 3_556 1_455 ? Te3 Fe1 Te2 85.96(3) 4_565 1_455 ? O8 Fe1 Te2 145.22(17) 1_455 3_655 ? O12 Fe1 Te2 107.04(15) 4_565 3_655 ? O7 Fe1 Te2 80.54(15) 2_545 3_655 ? O13 Fe1 Te2 104.18(15) 3_556 3_655 ? O7 Fe1 Te2 57.71(15) 4_565 3_655 ? O10 Fe1 Te2 27.02(14) 3_655 3_655 ? Te3 Fe1 Te2 122.90(4) 3_556 3_655 ? Te3 Fe1 Te2 125.66(4) 4_565 3_655 ? Te2 Fe1 Te2 128.19(4) 1_455 3_655 ? O8 Fe1 Te1 89.83(18) 1_455 2_545 ? O12 Fe1 Te1 147.56(16) 4_565 2_545 ? O7 Fe1 Te1 25.80(15) 2_545 2_545 ? O13 Fe1 Te1 64.53(14) 3_556 2_545 ? O7 Fe1 Te1 109.73(15) 4_565 2_545 ? O10 Fe1 Te1 93.06(16) 3_655 2_545 ? Te3 Fe1 Te1 90.24(4) 3_556 2_545 ? Te3 Fe1 Te1 141.72(4) 4_565 2_545 ? Te2 Fe1 Te1 67.64(3) 1_455 2_545 ? Te2 Fe1 Te1 92.62(3) 3_655 2_545 ? O8 Fe1 Te1 87.93(18) 1_455 4_565 ? O12 Fe1 Te1 81.58(16) 4_565 4_565 ? O7 Fe1 Te1 104.95(15) 2_545 4_565 ? O13 Fe1 Te1 159.01(15) 3_556 4_565 ? O7 Fe1 Te1 21.03(15) 4_565 4_565 ? O10 Fe1 Te1 84.38(15) 3_655 4_565 ? Te3 Fe1 Te1 139.04(3) 3_556 4_565 ? Te3 Fe1 Te1 74.87(4) 4_565 4_565 ? Te2 Fe1 Te1 92.07(3) 1_455 4_565 ? Te2 Fe1 Te1 64.58(3) 3_655 4_565 ? Te1 Fe1 Te1 130.71(4) 2_545 4_565 ? OH3 Fe2 O11 94.7(2) 4_566 2_656 ? OH3 Fe2 O10 102.4(2) 4_566 1_556 ? O11 Fe2 O10 162.9(2) 2_656 1_556 ? OH3 Fe2 O14 92.4(2) 4_566 3_656 ? O11 Fe2 O14 92.2(2) 2_656 3_656 ? O10 Fe2 O14 86.4(2) 1_556 3_656 ? OH3 Fe2 O6 97.0(2) 4_566 2_656 ? O11 Fe2 O6 87.2(2) 2_656 2_656 ? O10 Fe2 O6 91.5(2) 1_556 2_656 ? O14 Fe2 O6 170.6(2) 3_656 2_656 ? OH3 Fe2 O13 177.5(2) 4_566 1_655 ? O11 Fe2 O13 84.7(2) 2_656 1_655 ? O10 Fe2 O13 78.20(19) 1_556 1_655 ? O14 Fe2 O13 85.2(2) 3_656 1_655 ? O6 Fe2 O13 85.5(2) 2_656 1_655 ? OH3 Fe2 Te3 111.11(19) 4_566 2_656 ? O11 Fe2 Te3 31.51(16) 2_656 2_656 ? O10 Fe2 Te3 137.34(15) 1_556 2_656 ? O14 Fe2 Te3 116.87(16) 3_656 2_656 ? O6 Fe2 Te3 59.57(15) 2_656 2_656 ? O13 Fe2 Te3 69.50(14) 1_655 2_656 ? OH3 Fe2 Te3 145.81(16) 4_566 1_655 ? O11 Fe2 Te3 69.15(16) 2_656 1_655 ? O10 Fe2 Te3 95.64(15) 1_556 1_655 ? O14 Fe2 Te3 59.75(16) 3_656 1_655 ? O6 Fe2 Te3 111.48(15) 2_656 1_655 ? O13 Fe2 Te3 31.78(13) 1_655 1_655 ? Te3 Fe2 Te3 70.86(4) 2_656 1_655 ? OH3 Fe2 Te4 90.95(18) 4_566 3_656 ? O11 Fe2 Te4 117.96(17) 2_656 3_656 ? O10 Fe2 Te4 61.53(16) 1_556 3_656 ? O14 Fe2 Te4 25.82(16) 3_656 3_656 ? O6 Fe2 Te4 152.99(16) 2_656 3_656 ? O13 Fe2 Te4 87.18(14) 1_655 3_656 ? Te3 Fe2 Te4 140.00(4) 2_656 3_656 ? Te3 Fe2 Te4 72.42(3) 1_655 3_656 ? OH3 Fe2 Te2 79.68(17) 4_566 1_556 ? O11 Fe2 Te2 166.70(17) 2_656 1_556 ? O10 Fe2 Te2 26.12(14) 1_556 1_556 ? O14 Fe2 Te2 100.07(16) 3_656 1_556 ? O6 Fe2 Te2 81.62(16) 2_656 1_556 ? O13 Fe2 Te2 101.44(14) 1_655 1_556 ? Te3 Fe2 Te2 140.26(4) 2_656 1_556 ? Te3 Fe2 Te2 121.76(4) 1_655 1_556 ? Te4 Fe2 Te2 74.45(3) 3_656 1_556 ? OH3 Fe2 Te1 76.42(16) 4_566 2_656 ? O11 Fe2 Te1 100.23(17) 2_656 2_656 ? O10 Fe2 Te1 84.77(16) 1_556 2_656 ? O14 Fe2 Te1 163.87(16) 3_656 2_656 ? O6 Fe2 Te1 23.60(14) 2_656 2_656 ? O13 Fe2 Te1 106.10(14) 1_655 2_656 ? Te3 Fe2 Te1 78.45(4) 2_656 2_656 ? Te3 Fe2 Te1 134.61(4) 1_655 2_656 ? Te4 Fe2 Te1 140.74(4) 3_656 2_656 ? Te2 Fe2 Te1 66.82(4) 1_556 2_656 ? OH3 Fe2 OW3 60.5(2) 4_566 4_566 ? O11 Fe2 OW3 60.5(2) 2_656 4_566 ? O10 Fe2 OW3 128.2(2) 1_556 4_566 ? O14 Fe2 OW3 50.0(2) 3_656 4_566 ? O6 Fe2 OW3 136.0(2) 2_656 4_566 ? O13 Fe2 OW3 117.17(19) 1_655 4_566 ? Te3 Fe2 OW3 91.90(14) 2_656 4_566 ? Te3 Fe2 OW3 85.50(14) 1_655 4_566 ? Te4 Fe2 OW3 69.84(15) 3_656 4_566 ? Te2 Fe2 OW3 124.65(13) 1_556 4_566 ? Te1 Fe2 OW3 128.89(15) 2_656 4_566 ? O5 Fe3 O9 84.5(2) . 2_645 ? O5 Fe3 OH3 91.9(2) . 3_656 ? O9 Fe3 OH3 90.5(2) 2_645 3_656 ? O5 Fe3 O4 175.9(2) . 2_646 ? O9 Fe3 O4 97.8(3) 2_645 2_646 ? OH3 Fe3 O4 91.5(2) 3_656 2_646 ? O5 Fe3 OW2 89.9(2) . . ? O9 Fe3 OW2 173.8(2) 2_645 . ? OH3 Fe3 OW2 92.3(3) 3_656 . ? O4 Fe3 OW2 87.7(3) 2_646 . ? O5 Fe3 OW1 91.9(3) . . ? O9 Fe3 OW1 92.0(2) 2_645 . ? OH3 Fe3 OW1 175.7(2) 3_656 . ? O4 Fe3 OW1 84.6(3) 2_646 . ? OW2 Fe3 OW1 85.7(3) . . ? O5 Fe3 Te1 32.05(16) . . ? O9 Fe3 Te1 53.23(16) 2_645 . ? OH3 Fe3 Te1 85.61(15) 3_656 . ? O4 Fe3 Te1 150.8(2) 2_646 . ? OW2 Fe3 Te1 121.49(18) . . ? OW1 Fe3 Te1 98.70(18) . . ? O5 Fe3 Te2 102.11(16) . 2_645 ? O9 Fe3 Te2 21.34(16) 2_645 2_645 ? OH3 Fe3 Te2 78.03(17) 3_656 2_645 ? O4 Fe3 Te2 80.9(2) 2_646 2_645 ? OW2 Fe3 Te2 164.69(18) . 2_645 ? OW1 Fe3 Te2 103.18(19) . 2_645 ? Te1 Fe3 Te2 70.06(3) . 2_645 ? O5 Fe3 OH1 52.83(18) . . ? O9 Fe3 OH1 60.49(18) 2_645 . ? OH3 Fe3 OH1 133.49(18) 3_656 . ? O4 Fe3 OH1 125.5(2) 2_646 . ? OW2 Fe3 OH1 113.9(2) . . ? OW1 Fe3 OH1 50.78(19) . . ? Te1 Fe3 OH1 48.11(8) . . ? Te2 Fe3 OH1 81.16(9) 2_645 . ? O5 Fe3 Te4 54.94(16) . 4_566 ? O9 Fe3 Te4 125.76(16) 2_645 4_566 ? OH3 Fe3 Te4 60.57(18) 3_656 4_566 ? O4 Fe3 Te4 125.3(2) 2_646 4_566 ? OW2 Fe3 Te4 51.66(19) . 4_566 ? OW1 Fe3 Te4 120.4(2) . 4_566 ? Te1 Fe3 Te4 78.03(3) . 4_566 ? Te2 Fe3 Te4 129.08(4) 2_645 4_566 ? OH1 Fe3 Te4 105.75(9) . 4_566 ? O1 S O2 112.7(6) . . ? O1 S O3 112.1(5) . . ? O2 S O3 107.3(4) . . ? O1 S O4 109.1(5) . . ? O2 S O4 107.1(5) . . ? O3 S O4 108.4(4) . . ? O1 S OH3 170.3(4) . 4_566 ? O2 S OH3 72.4(4) . 4_566 ? O3 S OH3 72.9(3) . 4_566 ? O4 S OH3 61.1(3) . 4_566 ? O1 S OW2 70.0(4) . 2_646 ? O2 S OW2 104.4(4) . 2_646 ? O3 S OW2 47.9(3) . 2_646 ? O4 S OW2 145.6(3) . 2_646 ? OH3 S OW2 117.62(16) 4_566 2_646 ? O1 S OH2 112.4(4) . 3_656 ? O2 S OH2 47.4(3) . 3_656 ? O3 S OH2 63.7(3) . 3_656 ? O4 S OH2 137.4(3) . 3_656 ? OH3 S OH2 77.23(15) 4_566 3_656 ? OW2 S OH2 61.89(16) 2_646 3_656 ? O1 S OH2 73.3(4) . 4_566 ? O2 S OH2 71.1(3) . 4_566 ? O3 S OH2 174.4(3) . 4_566 ? O4 S OH2 67.5(3) . 4_566 ? OH3 S OH2 101.55(16) 4_566 4_566 ? OW2 S OH2 137.55(16) 2_646 4_566 ? OH2 S OH2 116.33(11) 3_656 4_566 ? O1 S OW1 59.3(4) . 4_566 ? O2 S OW1 116.0(3) . 4_566 ? O3 S OW1 135.8(3) . 4_566 ? O4 S OW1 50.9(3) . 4_566 ? OH3 S OW1 111.13(17) 4_566 4_566 ? OW2 S OW1 123.72(18) 2_646 4_566 ? OH2 S OW1 159.74(15) 3_656 4_566 ? OH2 S OW1 44.99(14) 4_566 4_566 ? O1 S OW2 84.5(4) . . ? O2 S OW2 28.5(4) . . ? O3 S OW2 124.4(3) . . ? O4 S OW2 115.3(3) . . ? OH3 S OW2 99.69(15) 4_566 . ? OW2 S OW2 98.97(15) 2_646 . ? OH2 S OW2 61.00(14) 3_656 . ? OH2 S OW2 56.54(14) 4_566 . ? OW1 S OW2 98.91(15) 4_566 . ? O1 S Te2 117.5(4) . 1_556 ? O2 S Te2 125.7(3) . 1_556 ? O3 S Te2 34.2(2) . 1_556 ? O4 S Te2 75.1(3) . 1_556 ? OH3 S Te2 61.55(10) 4_566 1_556 ? OW2 S Te2 75.54(11) 2_646 1_556 ? OH2 S Te2 93.56(10) 3_656 1_556 ? OH2 S Te2 142.44(12) 4_566 1_556 ? OW1 S Te2 106.66(11) 4_566 1_556 ? OW2 S Te2 152.36(12) . 1_556 ? O1 S Te4 123.0(4) . 3_656 ? O2 S Te4 71.6(3) . 3_656 ? O3 S Te4 36.0(3) . 3_656 ? O4 S Te4 124.2(3) . 3_656 ? OH3 S Te4 66.11(11) 4_566 3_656 ? OW2 S Te4 55.08(12) 2_646 3_656 ? OH2 S Te4 28.90(9) 3_656 3_656 ? OH2 S Te4 142.70(12) 4_566 3_656 ? OW1 S Te4 171.36(12) 4_566 3_656 ? OW2 S Te4 89.67(11) . 3_656 ? Te2 S Te4 64.73(4) 1_556 3_656 ? S O1 OW3 162.1(7) . 3_656 ? S O1 OW1 97.9(5) . 4_566 ? OW3 O1 OW1 89.9(3) 3_656 4_566 ? S O1 OW2 85.5(4) . 2_646 ? OW3 O1 OW2 94.5(3) 3_656 2_646 ? OW1 O1 OW2 154.5(4) 4_566 2_646 ? S O1 OH2 83.2(4) . 4_566 ? OW3 O1 OH2 89.8(3) 3_656 4_566 ? OW1 O1 OH2 49.2(2) 4_566 4_566 ? OW2 O1 OH2 155.6(4) 2_646 4_566 ? S O2 OW2 136.3(5) . . ? S O2 OH2 108.8(4) . 3_656 ? OW2 O2 OH2 88.5(3) . 3_656 ? S O2 OH3 81.1(3) . 4_566 ? OW2 O2 OH3 139.9(4) . 4_566 ? OH2 O2 OH3 91.6(3) 3_656 4_566 ? S O2 OH2 84.4(3) . 4_566 ? OW2 O2 OH2 70.3(2) . 4_566 ? OH2 O2 OH2 158.1(3) 3_656 4_566 ? OH3 O2 OH2 108.0(3) 4_566 4_566 ? S O2 OW3 135.5(4) . 4_566 ? OW2 O2 OW3 88.1(3) . 4_566 ? OH2 O2 OW3 63.8(3) 3_656 4_566 ? OH3 O2 OW3 56.6(2) 4_566 4_566 ? OH2 O2 OW3 119.0(3) 4_566 4_566 ? S O2 Te4 86.7(3) . 3_656 ? OW2 O2 Te4 117.2(3) . 3_656 ? OH2 O2 Te4 28.75(14) 3_656 3_656 ? OH3 O2 Te4 69.74(18) 4_566 3_656 ? OH2 O2 Te4 171.1(2) 4_566 3_656 ? OW3 O2 Te4 67.56(18) 4_566 3_656 ? S O3 OW2 107.7(4) . 2_646 ? S O3 Te2 128.7(3) . 1_556 ? OW2 O3 Te2 110.7(2) 2_646 1_556 ? S O3 Te4 126.6(3) . 3_656 ? OW2 O3 Te4 76.4(2) 2_646 3_656 ? Te2 O3 Te4 94.97(19) 1_556 3_656 ? S O3 OH2 91.0(3) . 3_656 ? OW2 O3 OH2 75.2(2) 2_646 3_656 ? Te2 O3 OH2 130.8(3) 1_556 3_656 ? Te4 O3 OH2 37.09(13) 3_656 3_656 ? S O3 OH3 80.6(3) . 4_566 ? OW2 O3 OH3 157.8(3) 2_646 4_566 ? Te2 O3 OH3 76.61(19) 1_556 4_566 ? Te4 O3 OH3 82.1(2) 3_656 4_566 ? OH2 O3 OH3 84.2(2) 3_656 4_566 ? S O4 Fe3 133.6(4) . 2_656 ? S O4 OW1 164.6(4) . 2_656 ? Fe3 O4 OW1 48.71(19) 2_656 2_656 ? S O4 OW2 134.0(4) . 2_656 ? Fe3 O4 OW2 46.63(18) 2_656 2_656 ? OW1 O4 OW2 60.5(2) 2_656 2_656 ? S O4 OH3 91.8(3) . 4_566 ? Fe3 O4 OH3 43.98(17) 2_656 4_566 ? OW1 O4 OH3 92.7(2) 2_656 4_566 ? OW2 O4 OH3 61.7(2) 2_656 4_566 ? S O4 OW1 106.0(3) . 4_566 ? Fe3 O4 OW1 120.4(3) 2_656 4_566 ? OW1 O4 OW1 73.3(3) 2_656 4_566 ? OW2 O4 OW1 97.0(3) 2_656 4_566 ? OH3 O4 OW1 158.5(3) 4_566 4_566 ? S O4 OH2 87.8(3) . 4_566 ? Fe3 O4 OH2 121.9(3) 2_656 4_566 ? OW1 O4 OH2 102.9(2) 2_656 4_566 ? OW2 O4 OH2 75.5(2) 2_656 4_566 ? OH3 O4 OH2 118.4(3) 4_566 4_566 ? OW1 O4 OH2 52.13(19) 4_566 4_566 ? S O4 Te2 82.8(3) . 1_556 ? Fe3 O4 Te2 67.89(17) 2_656 1_556 ? OW1 O4 Te2 85.6(2) 2_656 1_556 ? OW2 O4 Te2 113.9(2) 2_656 1_556 ? OH3 O4 Te2 65.87(16) 4_566 1_556 ? OW1 O4 Te2 127.2(2) 4_566 1_556 ? OH2 O4 Te2 169.9(2) 4_566 1_556 ? Te1 O5 Fe3 114.3(3) . . ? Te1 O5 OW2 159.1(3) . . ? Fe3 O5 OW2 46.26(17) . . ? Te1 O5 OH3 99.6(2) . 3_656 ? Fe3 O5 OH3 44.55(16) . 3_656 ? OW2 O5 OH3 61.8(2) . 3_656 ? Te1 O5 OW1 116.0(3) . . ? Fe3 O5 OW1 45.69(18) . . ? OW2 O5 OW1 58.5(2) . . ? OH3 O5 OW1 90.2(2) 3_656 . ? Te1 O5 Te2 100.8(2) . 2_655 ? Fe3 O5 Te2 139.5(2) . 2_655 ? OW2 O5 Te2 100.0(2) . 2_655 ? OH3 O5 Te2 149.0(2) 3_656 2_655 ? OW1 O5 Te2 101.3(2) . 2_655 ? Te1 O5 OH1 66.39(18) . . ? Fe3 O5 OH1 99.8(2) . . ? OW2 O5 OH1 118.8(2) . . ? OH3 O5 OH1 134.6(2) 3_656 . ? OW1 O5 OH1 62.73(19) . . ? Te2 O5 OH1 75.46(16) 2_655 . ? Te1 O5 Te4 121.3(2) . 4_566 ? Fe3 O5 Te4 98.53(19) . 4_566 ? OW2 O5 Te4 64.03(17) . 4_566 ? OH3 O5 Te4 70.91(17) 3_656 4_566 ? OW1 O5 Te4 121.6(2) . 4_566 ? Te2 O5 Te4 78.63(12) 2_655 4_566 ? OH1 O5 Te4 154.0(2) . 4_566 ? Te1 O6 Fe2 130.4(3) . 2_646 ? Te1 O6 Te3 132.3(3) . . ? Fe2 O6 Te3 81.34(17) 2_646 . ? Te1 O6 Te1 102.0(2) . 3_556 ? Fe2 O6 Te1 116.8(2) 2_646 3_556 ? Te3 O6 Te1 87.60(14) . 3_556 ? Te1 O6 OH3 93.8(2) . 3_656 ? Fe2 O6 OH3 40.26(15) 2_646 3_656 ? Te3 O6 OH3 96.21(19) . 3_656 ? Te1 O6 OH3 154.8(3) 3_556 3_656 ? Te1 O6 Te2 78.66(17) . 2_645 ? Fe2 O6 Te2 66.26(15) 2_646 2_645 ? Te3 O6 Te2 146.46(18) . 2_645 ? Te1 O6 Te2 99.01(15) 3_556 2_645 ? OH3 O6 Te2 64.80(15) 3_656 2_645 ? Te1 O7 Fe1 127.1(3) . 2 ? Te1 O7 Fe1 136.6(3) . 4_566 ? Fe1 O7 Fe1 96.0(2) 2 4_566 ? Te1 O7 Te2 101.4(2) . 2_655 ? Fe1 O7 Te2 82.96(18) 2 2_655 ? Fe1 O7 Te2 86.82(18) 4_566 2_655 ? Te1 O7 Te2 124.3(2) . 4_466 ? Fe1 O7 Te2 67.45(14) 2 4_466 ? Fe1 O7 Te2 63.62(13) 4_566 4_466 ? Te2 O7 Te2 134.15(17) 2_655 4_466 ? Te2 O8 Fe1 126.0(3) . 1_655 ? Te2 O8 Te3 148.4(3) . 4_665 ? Fe1 O8 Te3 84.81(18) 1_655 4_665 ? Te2 O8 OW3 58.7(2) . . ? Fe1 O8 OW3 139.0(3) 1_655 . ? Te3 O8 OW3 104.3(2) 4_665 . ? Te2 O8 Te1 83.77(19) . 2_655 ? Fe1 O8 Te1 120.7(2) 1_655 2_655 ? Te3 O8 Te1 72.87(13) 4_665 2_655 ? OW3 O8 Te1 100.0(2) . 2_655 ? Te2 O9 Fe3 136.1(3) . 2_655 ? Te2 O9 Te1 122.1(2) . 2_655 ? Fe3 O9 Te1 88.6(2) 2_655 2_655 ? Te2 O9 OH3 102.8(2) . 4_565 ? Fe3 O9 OH3 44.85(16) 2_655 4_565 ? Te1 O9 OH3 84.9(2) 2_655 4_565 ? Te2 O9 OW1 140.6(3) . 2_655 ? Fe3 O9 OW1 45.24(17) 2_655 2_655 ? Te1 O9 OW1 95.7(2) 2_655 2_655 ? OH3 O9 OW1 90.0(2) 4_565 2_655 ? Te2 O9 OW3 59.5(2) . . ? Fe3 O9 OW3 123.8(3) 2_655 . ? Te1 O9 OW3 132.5(2) 2_655 . ? OH3 O9 OW3 142.6(3) 4_565 . ? OW1 O9 OW3 87.8(3) 2_655 . ? Te2 O9 OH1 130.7(2) . 2_655 ? Fe3 O9 OH1 91.3(2) 2_655 2_655 ? Te1 O9 OH1 57.73(14) 2_655 2_655 ? OH3 O9 OH1 124.8(2) 4_565 2_655 ? OW1 O9 OH1 59.06(18) 2_655 2_655 ? OW3 O9 OH1 85.2(2) . 2_655 ? Te2 O10 Fe2 126.6(3) . 1_554 ? Te2 O10 Fe1 124.1(3) . 3_655 ? Fe2 O10 Fe1 103.3(2) 1_554 3_655 ? Te2 O10 Te4 113.7(2) . 3_655 ? Fe2 O10 Te4 83.00(17) 1_554 3_655 ? Fe1 O10 Te4 93.99(18) 3_655 3_655 ? Te2 O10 OH3 92.4(2) . 4_565 ? Fe2 O10 OH3 38.06(14) 1_554 4_565 ? Fe1 O10 OH3 141.2(2) 3_655 4_565 ? Te4 O10 OH3 80.97(16) 3_655 4_565 ? Te3 O11 Fe2 114.8(3) . 2_646 ? Te3 O11 OH1 96.5(3) . 4_566 ? Fe2 O11 OH1 131.5(3) 2_646 4_566 ? Te3 O11 OH3 130.7(3) . 3_656 ? Fe2 O11 OH3 42.50(16) 2_646 3_656 ? OH1 O11 OH3 89.0(2) 4_566 3_656 ? Te3 O11 OW3 157.5(3) . 3_656 ? Fe2 O11 OW3 87.3(2) 2_646 3_656 ? OH1 O11 OW3 63.8(2) 4_566 3_656 ? OH3 O11 OW3 63.3(2) 3_656 3_656 ? Te3 O11 Te3 93.1(2) . 2_546 ? Fe2 O11 Te3 76.46(18) 2_646 2_546 ? OH1 O11 Te3 140.3(2) 4_566 2_546 ? OH3 O11 Te3 113.0(2) 3_656 2_546 ? OW3 O11 Te3 96.0(2) 3_656 2_546 ? Te3 O11 Te4 89.5(2) . 4_566 ? Fe2 O11 Te4 108.9(2) 2_646 4_566 ? OH1 O11 Te4 32.05(13) 4_566 4_566 ? OH3 O11 Te4 70.21(17) 3_656 4_566 ? OW3 O11 Te4 79.1(2) 3_656 4_566 ? Te3 O11 Te4 172.34(17) 2_546 4_566 ? Te3 O12 Fe1 119.5(3) . 4_566 ? Te3 O12 Te4 125.4(2) . 4_566 ? Fe1 O12 Te4 110.8(2) 4_566 4_566 ? Te3 O12 Te3 106.8(2) . 2_556 ? Fe1 O12 Te3 86.35(19) 4_566 2_556 ? Te4 O12 Te3 95.58(16) 4_566 2_556 ? Te3 O12 OH1 91.9(2) . 4_566 ? Fe1 O12 OH1 148.5(3) 4_566 4_566 ? Te4 O12 OH1 39.95(14) 4_566 4_566 ? Te3 O12 OH1 85.98(18) 2_556 4_566 ? Te3 O13 Fe1 114.9(3) . 3_556 ? Te3 O13 Fe2 111.6(2) . 1_455 ? Fe1 O13 Fe2 98.5(2) 3_556 1_455 ? Te3 O13 Te3 93.81(18) . 2_556 ? Fe1 O13 Te3 151.2(2) 3_556 2_556 ? Fe2 O13 Te3 70.90(14) 1_455 2_556 ? Te3 O13 OH1 82.95(19) . 4_566 ? Fe1 O13 OH1 104.9(2) 3_556 4_566 ? Fe2 O13 OH1 143.9(3) 1_455 4_566 ? Te3 O13 OH1 75.45(16) 2_556 4_566 ? Te3 O13 Te1 141.0(2) . 4_566 ? Fe1 O13 Te1 80.76(15) 3_556 4_566 ? Fe2 O13 Te1 100.17(17) 1_455 4_566 ? Te3 O13 Te1 75.22(11) 2_556 4_566 ? OH1 O13 Te1 58.10(13) 4_566 4_566 ? Te4 O14 Fe2 125.5(3) . 3_656 ? Te4 O14 OH2 44.88(18) . . ? Fe2 O14 OH2 136.6(3) 3_656 . ? Te4 O14 OW3 120.0(3) . 2_645 ? Fe2 O14 OW3 96.7(3) 3_656 2_645 ? OH2 O14 OW3 75.1(3) . 2_645 ? Te4 O14 OH1 41.66(17) . . ? Fe2 O14 OH1 155.1(3) 3_656 . ? OH2 O14 OH1 55.6(2) . . ? OW3 O14 OH1 108.2(3) 2_645 . ? Te4 O14 OH3 113.6(3) . 2_645 ? Fe2 O14 OH3 42.67(16) 3_656 2_645 ? OH2 O14 OH3 97.1(2) . 2_645 ? OW3 O14 OH3 68.2(3) 2_645 2_645 ? OH1 O14 OH3 151.2(3) . 2_645 ? Te4 O14 Te3 113.0(2) . 3_556 ? Fe2 O14 Te3 83.53(18) 3_656 3_556 ? OH2 O14 Te3 139.4(3) . 3_556 ? OW3 O14 Te3 112.3(2) 2_645 3_556 ? OH1 O14 Te3 85.27(19) . 3_556 ? OH3 O14 Te3 123.1(2) 2_645 3_556 ? Te4 OH1 OH2 47.35(18) . . ? Te4 OH1 O11 96.8(2) . 4_565 ? OH2 OH1 O11 131.6(3) . 4_565 ? Te4 OH1 O14 39.74(16) . . ? OH2 OH1 O14 59.6(2) . . ? O11 OH1 O14 117.2(2) 4_565 . ? Te4 OH1 O12 61.33(17) . 4_565 ? OH2 OH1 O12 108.2(2) . 4_565 ? O11 OH1 O12 56.98(19) 4_565 4_565 ? O14 OH1 O12 61.53(19) . 4_565 ? Te4 OH1 Te1 138.3(3) . . ? OH2 OH1 Te1 120.8(2) . . ? O11 OH1 Te1 107.6(2) 4_565 . ? O14 OH1 Te1 98.6(2) . . ? O12 OH1 Te1 104.9(2) 4_565 . ? Te4 OH1 OW3 113.4(3) . 2_655 ? OH2 OH1 OW3 97.7(3) . 2_655 ? O11 OH1 OW3 64.0(2) 4_565 2_655 ? O14 OH1 OW3 152.1(3) . 2_655 ? O12 OH1 OW3 118.6(3) 4_565 2_655 ? Te1 OH1 OW3 107.6(2) . 2_655 ? Te4 OH1 O13 114.5(2) . 4_565 ? OH2 OH1 O13 157.8(3) . 4_565 ? O11 OH1 O13 53.19(17) 4_565 4_565 ? O14 OH1 O13 98.4(2) . 4_565 ? O12 OH1 O13 53.54(16) 4_565 4_565 ? Te1 OH1 O13 61.38(14) . 4_565 ? OW3 OH1 O13 102.4(2) 2_655 4_565 ? Te4 OH1 OW1 101.2(3) . . ? OH2 OH1 OW1 54.1(2) . . ? O11 OH1 OW1 144.0(3) 4_565 . ? O14 OH1 OW1 96.1(2) . . ? O12 OH1 OW1 157.6(3) 4_565 . ? Te1 OH1 OW1 78.44(16) . . ? OW3 OH1 OW1 80.2(2) 2_655 . ? O13 OH1 OW1 138.8(2) 4_565 . ? Te4 OH1 O5 146.4(3) . . ? OH2 OH1 O5 103.8(2) . . ? O11 OH1 O5 116.8(2) 4_565 . ? O14 OH1 O5 115.9(2) . . ? O12 OH1 O5 137.4(2) 4_565 . ? Te1 OH1 O5 32.97(11) . . ? OW3 OH1 O5 83.4(2) 2_655 . ? O13 OH1 O5 87.80(18) 4_565 . ? OW1 OH1 O5 51.28(16) . . ? Te4 OH1 Te3 89.94(18) . 4_565 ? OH2 OH1 Te3 136.9(2) . 4_565 ? O11 OH1 Te3 31.33(13) 4_565 4_565 ? O14 OH1 Te3 92.88(18) . 4_565 ? O12 OH1 Te3 32.29(12) 4_565 4_565 ? Te1 OH1 Te3 93.79(15) . 4_565 ? OW3 OH1 Te3 94.8(2) 2_655 4_565 ? O13 OH1 Te3 32.45(10) 4_565 4_565 ? OW1 OH1 Te3 168.9(2) . 4_565 ? O5 OH1 Te3 118.53(19) . 4_565 ? Te4 OH1 O9 105.0(3) . 2_645 ? OH2 OH1 O9 77.3(2) . 2_645 ? O11 OH1 O9 151.0(2) 4_565 2_645 ? O14 OH1 O9 72.3(2) . 2_645 ? O12 OH1 O9 118.4(2) 4_565 2_645 ? Te1 OH1 O9 43.73(12) . 2_645 ? OW3 OH1 O9 121.3(2) 2_655 2_645 ? O13 OH1 O9 99.68(19) 4_565 2_645 ? OW1 OH1 O9 49.35(16) . 2_645 ? O5 OH1 O9 44.00(15) . 2_645 ? Te3 OH1 O9 128.53(19) 4_565 2_645 ? Te4 OH1 Te3 79.31(18) . 3_556 ? OH2 OH1 Te3 107.1(2) . 3_556 ? O11 OH1 Te3 92.76(18) 4_565 3_556 ? O14 OH1 Te3 48.29(14) . 3_556 ? O12 OH1 Te3 45.88(13) 4_565 3_556 ? Te1 OH1 Te3 66.51(11) . 3_556 ? OW3 OH1 Te3 153.9(2) 2_655 3_556 ? O13 OH1 Te3 51.89(13) 4_565 3_556 ? OW1 OH1 Te3 121.0(2) . 3_556 ? O5 OH1 Te3 98.14(17) . 3_556 ? Te3 OH1 Te3 61.44(9) 4_565 3_556 ? O9 OH1 Te3 73.22(14) 2_645 3_556 ? Te4 OH1 Te2 156.5(3) . 2_655 ? OH2 OH1 Te2 125.1(2) . 2_655 ? O11 OH1 Te2 72.94(17) 4_565 2_655 ? O14 OH1 Te2 163.3(2) . 2_655 ? O12 OH1 Te2 123.4(2) 4_565 2_655 ? Te1 OH1 Te2 65.00(10) . 2_655 ? OW3 OH1 Te2 43.10(17) 2_655 2_655 ? O13 OH1 Te2 76.74(15) 4_565 2_655 ? OW1 OH1 Te2 78.34(16) . 2_655 ? O5 OH1 Te2 48.56(12) . 2_655 ? Te3 OH1 Te2 91.19(14) 4_565 2_655 ? O9 OH1 Te2 92.56(15) 2_645 2_655 ? Te3 OH1 Te2 121.42(15) 3_556 2_655 ? Te4 OH1 OH3 69.16(19) . 2_655 ? OH2 OH1 OH3 86.6(2) . 2_655 ? O11 OH1 OH3 46.16(16) 4_565 2_655 ? O14 OH1 OH3 107.3(2) . 2_655 ? O12 OH1 OH3 75.09(18) 4_565 2_655 ? Te1 OH1 OH3 149.6(2) . 2_655 ? OW3 OH1 OH3 51.48(19) 2_655 2_655 ? O13 OH1 OH3 98.60(18) 4_565 2_655 ? OW1 OH1 OH3 113.4(2) . 2_655 ? O5 OH1 OH3 134.8(2) . 2_655 ? Te3 OH1 OH3 69.73(13) 4_565 2_655 ? O9 OH1 OH3 161.6(2) 2_645 2_655 ? Te3 OH1 OH3 120.93(16) 3_556 2_655 ? Te2 OH1 OH3 89.28(15) 2_655 2_655 ? Te4 OH1 Fe3 119.5(2) . . ? OH2 OH1 Fe3 77.23(18) . . ? O11 OH1 Fe3 143.0(2) 4_565 . ? O14 OH1 Fe3 96.68(19) . . ? O12 OH1 Fe3 145.9(2) 4_565 . ? Te1 OH1 Fe3 49.43(8) . . ? OW3 OH1 Fe3 93.17(19) 2_655 . ? O13 OH1 Fe3 110.55(17) 4_565 . ? OW1 OH1 Fe3 29.14(11) . . ? O5 OH1 Fe3 27.35(10) . . ? Te3 OH1 Fe3 142.96(16) 4_565 . ? O9 OH1 Fe3 28.23(9) 2_645 . ? Te3 OH1 Fe3 100.00(13) 3_556 . ? Te2 OH1 Fe3 70.80(9) 2_655 . ? OH3 OH1 Fe3 138.89(17) 2_655 . ? Te4 OH1 Fe1 139.5(2) . 2 ? OH2 OH1 Fe1 173.1(2) . 2 ? O11 OH1 Fe1 52.66(15) 4_565 2 ? O14 OH1 Fe1 125.0(2) . 2 ? O12 OH1 Fe1 78.66(16) 4_565 2 ? Te1 OH1 Fe1 55.12(9) . 2 ? OW3 OH1 Fe1 79.33(19) 2_655 2 ? O13 OH1 Fe1 27.84(10) 4_565 2 ? OW1 OH1 Fe1 119.11(18) . 2 ? O5 OH1 Fe1 69.78(14) . 2 ? Te3 OH1 Fe1 49.87(8) 4_565 2 ? O9 OH1 Fe1 98.85(15) 2_645 2 ? Te3 OH1 Fe1 76.89(11) 3_556 2 ? Te2 OH1 Fe1 48.90(7) 2_655 2 ? OH3 OH1 Fe1 96.18(15) 2_655 2 ? Fe3 OH1 Fe1 96.65(11) . 2 ? Te4 OH1 OW3 62.2(2) . 2_645 ? OH2 OH1 OW3 46.4(2) . 2_645 ? O11 OH1 OW3 153.0(2) 4_565 2_645 ? O14 OH1 OW3 35.80(17) . 2_645 ? O12 OH1 OW3 96.5(2) 4_565 2_645 ? Te1 OH1 OW3 82.54(16) . 2_645 ? OW3 OH1 OW3 138.0(3) 2_655 2_645 ? O13 OH1 OW3 117.6(2) 4_565 2_645 ? OW1 OH1 OW3 61.6(2) . 2_645 ? O5 OH1 OW3 85.58(19) . 2_645 ? Te3 OH1 OW3 125.78(18) 4_565 2_645 ? O9 OH1 OW3 42.76(15) 2_645 2_645 ? Te3 OH1 OW3 67.87(14) 3_556 2_645 ? Te2 OH1 OW3 132.84(18) 2_655 2_645 ? OH3 OH1 OW3 127.81(19) 2_655 2_645 ? Fe3 OH1 OW3 62.07(14) . 2_645 ? Fe1 OH1 OW3 133.31(17) 2 2_645 ? Te4 OH1 OW2 41.50(15) . 4_565 ? OH2 OH1 OW2 48.97(18) . 4_565 ? O11 OH1 OW2 82.68(18) 4_565 4_565 ? O14 OH1 OW2 80.28(18) . 4_565 ? O12 OH1 OW2 84.59(17) 4_565 4_565 ? Te1 OH1 OW2 168.67(19) . 4_565 ? OW3 OH1 OW2 72.1(2) 2_655 4_565 ? O13 OH1 OW2 129.94(19) 4_565 4_565 ? OW1 OH1 OW2 90.45(18) . 4_565 ? O5 OH1 OW2 138.02(19) . 4_565 ? Te3 OH1 OW2 97.51(14) 4_565 4_565 ? O9 OH1 OW2 126.25(19) 2_645 4_565 ? Te3 OH1 OW2 118.79(15) 3_556 4_565 ? Te2 OH1 OW2 115.19(16) 2_655 4_565 ? OH3 OH1 OW2 38.30(12) 2_655 4_565 ? Fe3 OH1 OW2 119.34(15) . 4_565 ? Fe1 OH1 OW2 134.40(17) 2 4_565 ? OW3 OH1 OW2 90.30(16) 2_645 4_565 ? Te4 OH1 Te2 92.3(2) . 2_645 ? OH2 OH1 Te2 74.8(2) . 2_645 ? O11 OH1 Te2 148.9(2) 4_565 2_645 ? O14 OH1 Te2 56.83(15) . 2_645 ? O12 OH1 Te2 103.37(19) 4_565 2_645 ? Te1 OH1 Te2 50.38(9) . 2_645 ? OW3 OH1 Te2 137.4(2) 2_655 2_645 ? O13 OH1 Te2 96.09(16) 4_565 2_645 ? OW1 OH1 Te2 61.21(15) . 2_645 ? O5 OH1 Te2 59.12(13) . 2_645 ? Te3 OH1 Te2 119.61(14) 4_565 2_645 ? O9 OH1 Te2 16.33(9) 2_645 2_645 ? Te3 OH1 Te2 59.87(8) 3_556 2_645 ? Te2 OH1 Te2 107.36(12) 2_655 2_645 ? OH3 OH1 Te2 159.97(17) 2_655 2_645 ? Fe3 OH1 Te2 44.23(6) . 2_645 ? Fe1 OH1 Te2 103.15(12) 2 2_645 ? OW3 OH1 Te2 32.16(11) 2_645 2_645 ? OW2 OH1 Te2 121.99(15) 4_565 2_645 ? Te4 OH2 OH1 47.30(18) . . ? Te4 OH2 O2 108.9(3) . 3_656 ? OH1 OH2 O2 154.5(3) . 3_656 ? Te4 OH2 O14 42.69(17) . . ? OH1 OH2 O14 64.8(2) . . ? O2 OH2 O14 91.5(3) 3_656 . ? Te4 OH2 OW1 122.9(3) . . ? OH1 OH2 OW1 75.9(2) . . ? O2 OH2 OW1 125.1(3) 3_656 . ? O14 OH2 OW1 113.9(3) . . ? Te4 OH2 O3 66.1(2) . 3_656 ? OH1 OH2 O3 112.6(2) . 3_656 ? O2 OH2 O3 47.9(2) 3_656 3_656 ? O14 OH2 O3 74.3(2) . 3_656 ? OW1 OH2 O3 170.6(3) . 3_656 ? Te4 OH2 O4 151.0(3) . 4_565 ? OH1 OH2 O4 119.4(3) . 4_565 ? O2 OH2 O4 86.0(3) 3_656 4_565 ? O14 OH2 O4 165.4(3) . 4_565 ? OW1 OH2 O4 57.42(19) . 4_565 ? O3 OH2 O4 113.6(2) 3_656 4_565 ? Te4 OH2 O2 115.0(3) . 4_565 ? OH1 OH2 O2 117.1(3) . 4_565 ? O2 OH2 O2 78.90(16) 3_656 4_565 ? O14 OH2 O2 151.2(3) . 4_565 ? OW1 OH2 O2 93.5(2) . 4_565 ? O3 OH2 O2 79.3(2) 3_656 4_565 ? O4 OH2 O2 41.88(17) 4_565 4_565 ? Te4 OH2 OW3 96.7(3) . 2_645 ? OH1 OH2 OW3 99.8(3) . 2_645 ? O2 OH2 OW3 70.8(3) 3_656 2_645 ? O14 OH2 OW3 54.0(2) . 2_645 ? OW1 OH2 OW3 85.7(3) . 2_645 ? O3 OH2 OW3 96.2(3) 3_656 2_645 ? O4 OH2 OW3 111.8(2) 4_565 2_645 ? O2 OH2 OW3 141.8(3) 4_565 2_645 ? Te4 OH2 O1 110.9(3) . 4_565 ? OH1 OH2 O1 83.9(3) . 4_565 ? O2 OH2 O1 118.0(3) 3_656 4_565 ? O14 OH2 O1 148.1(3) . 4_565 ? OW1 OH2 O1 60.3(3) . 4_565 ? O3 OH2 O1 115.4(3) 3_656 4_565 ? O4 OH2 O1 41.30(19) 4_565 4_565 ? O2 OH2 O1 41.6(2) 4_565 4_565 ? OW3 OH2 O1 144.1(3) 2_645 4_565 ? Te4 OH2 S 90.6(2) . 3_656 ? OH1 OH2 S 137.7(2) . 3_656 ? O2 OH2 S 23.84(17) 3_656 3_656 ? O14 OH2 S 87.9(2) . 3_656 ? OW1 OH2 S 146.3(2) . 3_656 ? O3 OH2 S 25.33(13) 3_656 3_656 ? O4 OH2 S 95.31(19) 4_565 3_656 ? O2 OH2 S 72.32(19) 4_565 3_656 ? OW3 OH2 S 87.5(2) 2_645 3_656 ? O1 OH2 S 113.8(2) 4_565 3_656 ? Te4 OH2 OW2 71.7(2) . 4_565 ? OH1 OH2 OW2 97.3(2) . 4_565 ? O2 OH2 OW2 79.8(3) 3_656 4_565 ? O14 OH2 OW2 106.2(2) . 4_565 ? OW1 OH2 OW2 130.5(3) . 4_565 ? O3 OH2 OW2 46.67(18) 3_656 4_565 ? O4 OH2 OW2 87.4(2) 4_565 4_565 ? O2 OH2 OW2 45.57(17) 4_565 4_565 ? OW3 OH2 OW2 142.9(3) 2_645 4_565 ? O1 OH2 OW2 70.3(2) 4_565 4_565 ? S OH2 OW2 58.41(15) 3_656 4_565 ? Te4 OH2 S 126.7(3) . 4_565 ? OH1 OH2 S 107.3(3) . 4_565 ? O2 OH2 S 94.8(3) 3_656 4_565 ? O14 OH2 S 169.2(3) . 4_565 ? OW1 OH2 S 69.14(18) . 4_565 ? O3 OH2 S 103.7(2) 3_656 4_565 ? O4 OH2 S 24.69(12) 4_565 4_565 ? O2 OH2 S 24.45(13) 4_565 4_565 ? OW3 OH2 S 136.5(2) 2_645 4_565 ? O1 OH2 S 23.46(14) 4_565 4_565 ? S OH2 S 94.37(15) 3_656 4_565 ? OW2 OH2 S 66.50(15) 4_565 4_565 ? Te4 OH2 OW2 154.6(3) . 3_656 ? OH1 OH2 OW2 157.0(3) . 3_656 ? O2 OH2 OW2 45.7(2) 3_656 3_656 ? O14 OH2 OW2 124.2(3) . 3_656 ? OW1 OH2 OW2 81.2(2) . 3_656 ? O3 OH2 OW2 90.3(2) 3_656 3_656 ? O4 OH2 OW2 46.37(17) 4_565 3_656 ? O2 OH2 OW2 66.4(2) 4_565 3_656 ? OW3 OH2 OW2 75.8(2) 2_645 3_656 ? O1 OH2 OW2 87.1(2) 4_565 3_656 ? S OH2 OW2 65.12(15) 3_656 3_656 ? OW2 OH2 OW2 99.47(17) 4_565 3_656 ? S OH2 OW2 65.98(14) 4_565 3_656 ? Te4 OH2 OH3 70.56(19) . 2_645 ? OH1 OH2 OH3 107.1(2) . 2_645 ? O2 OH2 OH3 48.6(2) 3_656 2_645 ? O14 OH2 OH3 42.89(17) . 2_645 ? OW1 OH2 OH3 134.3(3) . 2_645 ? O3 OH2 OH3 48.54(17) 3_656 2_645 ? O4 OH2 OH3 132.8(2) 4_565 2_645 ? O2 OH2 OH3 121.6(2) 4_565 2_645 ? OW3 OH2 OH3 48.56(19) 2_645 2_645 ? O1 OH2 OH3 162.9(2) 4_565 2_645 ? S OH2 OH3 49.32(12) 3_656 2_645 ? OW2 OH2 OH3 94.87(19) 4_565 2_645 ? S OH2 OH3 142.55(19) 4_565 2_645 ? OW2 OH2 OH3 87.01(18) 3_656 2_645 ? Te4 OH2 OW3 75.8(2) . 2_655 ? OH1 OH2 OW3 46.3(2) . 2_655 ? O2 OH2 OW3 149.4(3) 3_656 2_655 ? O14 OH2 OW3 109.3(2) . 2_655 ? OW1 OH2 OW3 67.3(2) . 2_655 ? O3 OH2 OW3 115.3(2) 3_656 2_655 ? O4 OH2 OW3 79.1(2) 4_565 2_655 ? O2 OH2 OW3 72.1(2) 4_565 2_655 ? OW3 OH2 OW3 139.7(3) 2_645 2_655 ? O1 OH2 OW3 38.81(18) 4_565 2_655 ? S OH2 OW3 131.4(2) 3_656 2_655 ? OW2 OH2 OW3 73.09(19) 4_565 2_655 ? S OH2 OW3 61.60(15) 4_565 2_655 ? OW2 OH2 OW3 125.4(2) 3_656 2_655 ? OH3 OH2 OW3 146.35(19) 2_645 2_655 ? Te4 OH2 OH3 51.82(18) . 2_655 ? OH1 OH2 OH3 59.30(19) . 2_655 ? O2 OH2 OH3 117.1(3) 3_656 2_655 ? O14 OH2 OH3 94.5(2) . 2_655 ? OW1 OH2 OH3 108.8(2) . 2_655 ? O3 OH2 OH3 74.07(18) 3_656 2_655 ? O4 OH2 OH3 99.4(2) 4_565 2_655 ? O2 OH2 OH3 67.0(2) 4_565 2_655 ? OW3 OH2 OH3 148.5(2) 2_645 2_655 ? O1 OH2 OH3 62.4(2) 4_565 2_655 ? S OH2 OH3 93.90(15) 3_656 2_655 ? OW2 OH2 OH3 38.68(14) 4_565 2_655 ? S OH2 OH3 74.86(14) 4_565 2_655 ? OW2 OH2 OH3 132.9(2) 3_656 2_655 ? OH3 OH2 OH3 111.43(17) 2_645 2_655 ? OW3 OH2 OH3 41.50(14) 2_655 2_655 ? Te4 OH2 OW1 166.7(3) . 3_656 ? OH1 OH2 OW1 121.0(2) . 3_656 ? O2 OH2 OW1 81.2(2) 3_656 3_656 ? O14 OH2 OW1 131.0(2) . 3_656 ? OW1 OH2 OW1 45.1(2) . 3_656 ? O3 OH2 OW1 126.3(2) 3_656 3_656 ? O4 OH2 OW1 34.47(14) 4_565 3_656 ? O2 OH2 OW1 74.75(17) 4_565 3_656 ? OW3 OH2 OW1 78.1(2) 2_645 3_656 ? O1 OH2 OW1 69.8(2) 4_565 3_656 ? S OH2 OW1 101.29(16) 3_656 3_656 ? OW2 OH2 OW1 119.66(18) 4_565 3_656 ? S OH2 OW1 58.87(12) 4_565 3_656 ? OW2 OH2 OW1 36.21(14) 3_656 3_656 ? OH3 OH2 OW1 112.98(18) 2_645 3_656 ? OW3 OH2 OW1 100.05(18) 2_655 3_656 ? OH3 OH2 OW1 131.97(18) 2_655 3_656 ? Te4 OH2 Te1 71.35(17) . . ? OH1 OH2 Te1 32.67(15) . . ? O2 OH2 Te1 144.9(3) 3_656 . ? O14 OH2 Te1 64.48(16) . . ? OW1 OH2 Te1 54.43(16) . . ? O3 OH2 Te1 134.93(19) 3_656 . ? O4 OH2 Te1 110.75(18) 4_565 . ? O2 OH2 Te1 134.1(2) 4_565 . ? OW3 OH2 Te1 74.35(18) 2_645 . ? O1 OH2 Te1 92.7(2) 4_565 . ? S OH2 Te1 152.24(17) 3_656 . ? OW2 OH2 Te1 129.72(19) 4_565 . ? S OH2 Te1 113.29(15) 4_565 . ? OW2 OH2 Te1 127.43(17) 3_656 . ? OH3 OH2 Te1 103.63(14) 2_645 . ? OW3 OH2 Te1 65.68(13) 2_655 . ? OH3 OH2 Te1 91.21(13) 2_655 . ? OW1 OH2 Te1 95.37(13) 3_656 . ? Te4 OH2 Te2 92.8(2) . 2_645 ? OH1 OH2 Te2 75.47(19) . 2_645 ? O2 OH2 Te2 100.2(3) 3_656 2_645 ? O14 OH2 Te2 57.13(16) . 2_645 ? OW1 OH2 Te2 62.97(18) . 2_645 ? O3 OH2 Te2 121.8(2) 3_656 2_645 ? O4 OH2 Te2 109.22(17) 4_565 2_645 ? O2 OH2 Te2 151.02(19) 4_565 2_645 ? OW3 OH2 Te2 30.05(16) 2_645 2_645 ? O1 OH2 Te2 122.7(2) 4_565 2_645 ? S OH2 Te2 117.36(17) 3_656 2_645 ? OW2 OH2 Te2 163.35(17) 4_565 2_645 ? S OH2 Te2 129.76(14) 4_565 2_645 ? OW2 OH2 Te2 92.00(16) 3_656 2_645 ? OH3 OH2 Te2 73.58(13) 2_645 2_645 ? OW3 OH2 Te2 109.84(16) 2_655 2_645 ? OH3 OH2 Te2 134.20(14) 2_655 2_645 ? OW1 OH2 Te2 76.50(12) 3_656 2_645 ? Te1 OH2 Te2 45.73(6) . 2_645 ? Fe2 OH3 Fe3 128.1(3) 4_565 3_656 ? Fe2 OH3 O9 86.0(2) 4_565 4_566 ? Fe3 OH3 O9 44.68(16) 3_656 4_566 ? Fe2 OH3 O5 100.6(2) 4_565 3_656 ? Fe3 OH3 O5 43.57(16) 3_656 3_656 ? O9 OH3 O5 55.84(19) 4_566 3_656 ? Fe2 OH3 O4 136.5(3) 4_565 4_565 ? Fe3 OH3 O4 44.48(17) 3_656 4_565 ? O9 OH3 O4 63.9(2) 4_566 4_565 ? O5 OH3 O4 88.0(2) 3_656 4_565 ? Fe2 OH3 O14 44.92(16) 4_565 2_655 ? Fe3 OH3 O14 150.3(3) 3_656 2_655 ? O9 OH3 O14 110.6(2) 4_566 2_655 ? O5 OH3 O14 145.5(2) 3_656 2_655 ? O4 OH3 O14 115.7(3) 4_565 2_655 ? Fe2 OH3 O11 42.82(16) 4_565 3_656 ? Fe3 OH3 O11 140.4(3) 3_656 3_656 ? O9 OH3 O11 119.3(2) 4_566 3_656 ? O5 OH3 O11 96.9(2) 3_656 3_656 ? O4 OH3 O11 175.1(3) 4_565 3_656 ? O14 OH3 O11 60.02(19) 2_655 3_656 ? Fe2 OH3 OW2 157.3(3) 4_565 3_656 ? Fe3 OH3 OW2 44.54(17) 3_656 3_656 ? O9 OH3 OW2 89.1(2) 4_566 3_656 ? O5 OH3 OW2 58.88(19) 3_656 3_656 ? O4 OH3 OW2 58.1(2) 4_565 3_656 ? O14 OH3 OW2 154.7(3) 2_655 3_656 ? O11 OH3 OW2 124.5(3) 3_656 3_656 ? Fe2 OH3 O6 42.78(15) 4_565 3_656 ? Fe3 OH3 O6 92.1(2) 3_656 3_656 ? O9 OH3 O6 63.97(18) 4_566 3_656 ? O5 OH3 O6 57.86(18) 3_656 3_656 ? O4 OH3 O6 127.5(3) 4_565 3_656 ? O14 OH3 O6 87.7(2) 2_655 3_656 ? O11 OH3 O6 56.17(17) 3_656 3_656 ? OW2 OH3 O6 115.9(2) 3_656 3_656 ? Fe2 OH3 O10 39.55(15) 4_565 4_566 ? Fe3 OH3 O10 100.5(2) 3_656 4_566 ? O9 OH3 O10 56.33(18) 4_566 4_566 ? O5 OH3 O10 99.5(2) 3_656 4_566 ? O4 OH3 O10 97.1(2) 4_565 4_566 ? O14 OH3 O10 55.18(18) 2_655 4_566 ? O11 OH3 O10 82.36(19) 3_656 4_566 ? OW2 OH3 O10 145.0(2) 3_656 4_566 ? O6 OH3 O10 57.14(18) 3_656 4_566 ? Fe2 OH3 O2 122.2(3) 4_565 4_565 ? Fe3 OH3 O2 89.8(2) 3_656 4_565 ? O9 OH3 O2 103.1(2) 4_566 4_565 ? O5 OH3 O2 131.9(3) 3_656 4_565 ? O4 OH3 O2 46.37(19) 4_565 4_565 ? O14 OH3 O2 79.8(2) 2_655 4_565 ? O11 OH3 O2 128.8(2) 3_656 4_565 ? OW2 OH3 O2 80.5(2) 3_656 4_565 ? O6 OH3 O2 157.5(3) 3_656 4_565 ? O10 OH3 O2 100.5(2) 4_566 4_565 ? Fe2 OH3 O3 93.9(2) 4_565 4_565 ? Fe3 OH3 O3 81.8(2) 3_656 4_565 ? O9 OH3 O3 66.9(2) 4_566 4_565 ? O5 OH3 O3 119.1(2) 3_656 4_565 ? O4 OH3 O3 46.71(19) 4_565 4_565 ? O14 OH3 O3 71.3(2) 2_655 4_565 ? O11 OH3 O3 129.9(3) 3_656 4_565 ? OW2 OH3 O3 104.4(2) 3_656 4_565 ? O6 OH3 O3 113.9(2) 3_656 4_565 ? O10 OH3 O3 59.64(18) 4_566 4_565 ? O2 OH3 O3 44.3(2) 4_565 4_565 ? Fe2 OH3 OW3 87.5(2) 4_565 . ? Fe3 OH3 OW3 144.5(3) 3_656 . ? O9 OH3 OW3 163.7(3) 4_566 . ? O5 OH3 OW3 140.2(3) 3_656 . ? O4 OH3 OW3 112.6(3) 4_565 . ? O14 OH3 OW3 55.3(2) 2_655 . ? O11 OH3 OW3 63.3(2) 3_656 . ? OW2 OH3 OW3 102.4(2) 3_656 . ? O6 OH3 OW3 119.0(2) 3_656 . ? O10 OH3 OW3 110.4(2) 4_566 . ? O2 OH3 OW3 68.2(2) 4_565 . ? O3 OH3 OW3 98.8(3) 4_565 . ? Fe2 OH3 S 120.0(3) 4_565 4_565 ? Fe3 OH3 S 70.75(17) 3_656 4_565 ? O9 OH3 S 76.52(18) 4_566 4_565 ? O5 OH3 S 114.1(2) 3_656 4_565 ? O4 OH3 S 27.03(14) 4_565 4_565 ? O14 OH3 S 89.1(2) 2_655 4_565 ? O11 OH3 S 148.2(2) 3_656 4_565 ? OW2 OH3 S 80.07(19) 3_656 4_565 ? O6 OH3 S 136.1(2) 3_656 4_565 ? O10 OH3 S 85.86(18) 4_566 4_565 ? O2 OH3 S 26.54(15) 4_565 4_565 ? O3 OH3 S 26.55(13) 4_565 4_565 ? OW3 OH3 S 94.0(2) . 4_565 ? Fe2 OH3 Te1 72.16(15) 4_565 3_656 ? Fe3 OH3 Te1 61.44(14) 3_656 3_656 ? O9 OH3 Te1 44.68(14) 4_566 3_656 ? O5 OH3 Te1 30.37(12) 3_656 3_656 ? O4 OH3 Te1 101.3(2) 4_565 3_656 ? O14 OH3 Te1 116.18(19) 2_655 3_656 ? O11 OH3 Te1 83.17(17) 3_656 3_656 ? OW2 OH3 Te1 88.88(18) 3_656 3_656 ? O6 OH3 Te1 30.91(11) 3_656 3_656 ? O10 OH3 Te1 70.94(14) 4_566 3_656 ? O2 OH3 Te1 146.5(2) 4_565 3_656 ? O3 OH3 Te1 110.11(19) 4_565 3_656 ? OW3 OH3 Te1 145.3(2) . 3_656 ? S OH3 Te1 120.40(16) 4_565 3_656 ? Fe2 OH3 Te2 69.21(16) 4_565 4_566 ? Fe3 OH3 Te2 70.46(16) 3_656 4_566 ? O9 OH3 Te2 29.55(13) 4_566 4_566 ? O5 OH3 Te2 83.83(17) 3_656 4_566 ? O4 OH3 Te2 69.54(18) 4_565 4_566 ? O14 OH3 Te2 82.01(18) 2_655 4_566 ? O11 OH3 Te2 111.15(19) 3_656 4_566 ? OW2 OH3 Te2 114.1(2) 3_656 4_566 ? O6 OH3 Te2 68.32(15) 3_656 4_566 ? O10 OH3 Te2 31.38(10) 4_566 4_566 ? O2 OH3 Te2 91.3(2) 4_565 4_566 ? O3 OH3 Te2 47.56(13) 4_565 4_566 ? OW3 OH3 Te2 134.5(2) . 4_566 ? S OH3 Te2 67.93(12) 4_565 4_566 ? Te1 OH3 Te2 64.16(9) 3_656 4_566 ? Fe2 OH3 Te4 103.1(2) 4_565 2_645 ? Fe3 OH3 Te4 92.1(2) 3_656 2_645 ? O9 OH3 Te4 119.6(2) 4_566 2_645 ? O5 OH3 Te4 63.84(16) 3_656 2_645 ? O4 OH3 Te4 118.7(2) 4_565 2_645 ? O14 OH3 Te4 117.3(2) 2_655 2_645 ? O11 OH3 Te4 63.75(16) 3_656 2_645 ? OW2 OH3 Te4 60.70(18) 3_656 2_645 ? O6 OH3 Te4 83.09(18) 3_656 2_645 ? O10 OH3 Te4 138.34(19) 4_566 2_645 ? O2 OH3 Te4 119.3(2) 4_565 2_645 ? O3 OH3 Te4 162.0(2) 4_565 2_645 ? OW3 OH3 Te4 76.4(2) . 2_645 ? S OH3 Te4 135.58(17) 4_565 2_645 ? Te1 OH3 Te4 81.13(12) 3_656 2_645 ? Te2 OH3 Te4 145.24(16) 4_566 2_645 ? Fe2 OH3 Te4 59.76(16) 4_565 2_655 ? Fe3 OH3 Te4 126.9(2) 3_656 2_655 ? O9 OH3 Te4 95.7(2) 4_566 2_655 ? O5 OH3 Te4 148.3(2) 3_656 2_655 ? O4 OH3 Te4 91.3(2) 4_565 2_655 ? O14 OH3 Te4 25.06(12) 2_655 2_655 ? O11 OH3 Te4 84.70(17) 3_656 2_655 ? OW2 OH3 Te4 142.9(2) 3_656 2_655 ? O6 OH3 Te4 99.11(18) 3_656 2_655 ? O10 OH3 Te4 49.09(13) 4_566 2_655 ? O2 OH3 Te4 62.52(17) 4_565 2_655 ? O3 OH3 Te4 46.23(14) 4_565 2_655 ? OW3 OH3 Te4 68.14(19) . 2_655 ? S OH3 Te4 65.51(12) 4_565 2_655 ? Te1 OH3 Te4 119.85(14) 3_656 2_655 ? Te2 OH3 Te4 66.34(10) 4_566 2_655 ? Te4 OH3 Te4 140.57(15) 2_645 2_655 ? Fe2 OH3 OH1 87.6(2) 4_565 2_645 ? Fe3 OH3 OH1 120.1(3) 3_656 2_645 ? O9 OH3 OH1 143.0(2) 4_566 2_645 ? O5 OH3 OH1 89.9(2) 3_656 2_645 ? O4 OH3 OH1 135.3(2) 4_565 2_645 ? O14 OH3 OH1 89.47(19) 2_655 2_645 ? O11 OH3 OH1 44.80(16) 3_656 2_645 ? OW2 OH3 OH1 83.1(2) 3_656 2_645 ? O6 OH3 OH1 87.18(19) 3_656 2_645 ? O10 OH3 OH1 127.1(2) 4_566 2_645 ? O2 OH3 OH1 111.1(2) 4_565 2_645 ? O3 OH3 OH1 150.0(2) 4_565 2_645 ? OW3 OH3 OH1 51.3(2) . 2_645 ? S OH3 OH1 136.52(18) 4_565 2_645 ? Te1 OH3 OH1 98.88(16) 3_656 2_645 ? Te2 OH3 OH1 154.25(17) 4_566 2_645 ? Te4 OH3 OH1 28.43(9) 2_645 2_645 ? Te4 OH3 OH1 112.14(16) 2_655 2_645 ? Fe2 OH3 OW1 129.9(2) 4_565 3_656 ? Fe3 OH3 OW1 2.20(12) 3_656 3_656 ? O9 OH3 OW1 45.95(16) 4_566 3_656 ? O5 OH3 OW1 45.50(16) 3_656 3_656 ? O4 OH3 OW1 42.52(17) 4_565 3_656 ? O14 OH3 OW1 150.0(2) 2_655 3_656 ? O11 OH3 OW1 142.4(2) 3_656 3_656 ? OW2 OH3 OW1 43.52(18) 3_656 3_656 ? O6 OH3 OW1 94.24(19) 3_656 3_656 ? O10 OH3 OW1 101.47(19) 4_566 3_656 ? O2 OH3 OW1 87.7(2) 4_565 3_656 ? O3 OH3 OW1 80.7(2) 4_565 3_656 ? OW3 OH3 OW1 142.6(2) . 3_656 ? S OH3 OW1 68.94(15) 4_565 3_656 ? Te1 OH3 OW1 63.64(12) 3_656 3_656 ? Te2 OH3 OW1 71.11(14) 4_566 3_656 ? Te4 OH3 OW1 92.61(16) 2_645 3_656 ? Te4 OH3 OW1 126.15(18) 2_655 3_656 ? OH1 OH3 OW1 120.5(2) 2_645 3_656 ? Fe3 OW1 O4 46.69(18) . 2_646 ? Fe3 OW1 OH2 132.1(3) . . ? O4 OW1 OH2 124.9(3) 2_646 . ? Fe3 OW1 OW2 46.65(18) . . ? O4 OW1 OW2 60.7(2) 2_646 . ? OH2 OW1 OW2 172.5(3) . . ? Fe3 OW1 O5 42.42(16) . . ? O4 OW1 O5 89.1(2) 2_646 . ? OH2 OW1 O5 114.2(3) . . ? OW2 OW1 O5 59.4(2) . . ? Fe3 OW1 O9 42.80(16) . 2_645 ? O4 OW1 O9 64.1(2) 2_646 2_645 ? OH2 OW1 O9 89.4(2) . 2_645 ? OW2 OW1 O9 89.3(2) . 2_645 ? O5 OW1 O9 54.19(19) . 2_645 ? Fe3 OW1 O4 150.4(3) . 4_565 ? O4 OW1 O4 106.7(3) 2_646 4_565 ? OH2 OW1 O4 70.4(2) . 4_565 ? OW2 OW1 O4 113.8(3) . 4_565 ? O5 OW1 O4 157.2(3) . 4_565 ? O9 OW1 O4 147.7(3) 2_645 4_565 ? Fe3 OW1 O1 148.6(4) . 4_565 ? O4 OW1 O1 146.0(3) 2_646 4_565 ? OH2 OW1 O1 70.5(3) . 4_565 ? OW2 OW1 O1 107.7(3) . 4_565 ? O5 OW1 O1 113.2(3) . 4_565 ? O9 OW1 O1 149.9(3) 2_645 4_565 ? O4 OW1 O1 45.6(2) 4_565 4_565 ? Fe3 OW1 OH1 100.1(2) . . ? O4 OW1 OH1 135.6(3) 2_646 . ? OH2 OW1 OH1 50.01(19) . . ? OW2 OW1 OH1 122.7(3) . . ? O5 OW1 OH1 65.99(19) . . ? O9 OW1 OH1 71.6(2) 2_645 . ? O4 OW1 OH1 109.5(2) 4_565 . ? O1 OW1 OH1 78.3(2) 4_565 . ? Fe3 OW1 OW1 101.4(3) . 3_656 ? O4 OW1 OW1 55.9(2) 2_646 3_656 ? OH2 OW1 OW1 100.0(3) . 3_656 ? OW2 OW1 OW1 87.4(3) . 3_656 ? O5 OW1 OW1 141.7(3) . 3_656 ? O9 OW1 OW1 112.2(3) 2_645 3_656 ? O4 OW1 OW1 50.73(19) 4_565 3_656 ? O1 OW1 OW1 93.7(3) 4_565 3_656 ? OH1 OW1 OW1 149.9(3) . 3_656 ? Fe3 OW1 S 162.0(3) . 4_565 ? O4 OW1 S 128.7(2) 2_646 4_565 ? OH2 OW1 S 65.87(18) . 4_565 ? OW2 OW1 S 115.4(2) . 4_565 ? O5 OW1 S 136.0(3) . 4_565 ? O9 OW1 S 155.2(2) 2_645 4_565 ? O4 OW1 S 23.11(13) 4_565 4_565 ? O1 OW1 S 22.82(15) 4_565 4_565 ? OH1 OW1 S 91.89(18) . 4_565 ? OW1 OW1 S 73.14(19) 3_656 4_565 ? Fe3 OW1 OH3 2.11(12) . 3_656 ? O4 OW1 OH3 44.81(17) 2_646 3_656 ? OH2 OW1 OH3 133.4(2) . 3_656 ? OW2 OW1 OH3 45.66(18) . 3_656 ? O5 OW1 OH3 44.28(16) . 3_656 ? O9 OW1 OH3 44.02(15) 2_645 3_656 ? O4 OW1 OH3 148.3(2) 4_565 3_656 ? O1 OW1 OH3 149.0(3) 4_565 3_656 ? OH1 OW1 OH3 102.17(19) . 3_656 ? OW1 OW1 OH3 99.3(2) 3_656 3_656 ? S OW1 OH3 160.7(2) 4_565 3_656 ? Fe3 OW1 Te1 51.14(13) . . ? O4 OW1 Te1 93.65(19) 2_646 . ? OH2 OW1 Te1 92.26(19) . . ? OW2 OW1 Te1 82.11(19) . . ? O5 OW1 Te1 24.33(12) . . ? O9 OW1 Te1 38.90(13) 2_645 . ? O4 OW1 Te1 158.5(2) 4_565 . ? O1 OW1 Te1 117.4(2) 4_565 . ? OH1 OW1 Te1 49.14(13) . . ? OW1 OW1 Te1 148.8(3) 3_656 . ? S OW1 Te1 137.65(19) 4_565 . ? OH3 OW1 Te1 53.25(10) 3_656 . ? Fe3 OW1 Te4 117.4(2) . . ? O4 OW1 Te4 132.4(3) 2_646 . ? OH2 OW1 Te4 23.03(13) . . ? OW2 OW1 Te4 149.8(3) . . ? O5 OW1 Te4 91.49(18) . . ? O9 OW1 Te4 78.24(17) 2_645 . ? O4 OW1 Te4 89.74(19) 4_565 . ? O1 OW1 Te4 74.7(2) 4_565 . ? OH1 OW1 Te4 27.18(11) . . ? OW1 OW1 Te4 122.8(3) 3_656 . ? S OW1 Te4 78.90(12) 4_565 . ? OH3 OW1 Te4 119.23(16) 3_656 . ? Te1 OW1 Te4 70.88(10) . . ? Fe3 OW1 OW3 115.6(3) . 2_655 ? O4 OW1 OW3 158.4(3) 2_646 2_655 ? OH2 OW1 OW3 75.3(2) . 2_655 ? OW2 OW1 OW3 98.4(3) . 2_655 ? O5 OW1 OW3 74.1(2) . 2_655 ? O9 OW1 OW3 113.3(2) 2_645 2_655 ? O4 OW1 OW3 86.4(2) 4_565 2_655 ? O1 OW1 OW3 41.1(2) 4_565 2_655 ? OH1 OW1 OW3 48.90(18) . 2_655 ? OW1 OW1 OW3 134.1(3) 3_656 2_655 ? S OW1 OW3 63.26(15) 4_565 2_655 ? OH3 OW1 OW3 117.1(2) 3_656 2_655 ? Te1 OW1 OW3 76.62(16) . 2_655 ? Te4 OW1 OW3 62.94(16) . 2_655 ? Fe3 OW1 OW3 85.9(2) . 2_645 ? O4 OW1 OW3 74.3(2) 2_646 2_645 ? OH2 OW1 OW3 53.5(2) . 2_645 ? OW2 OW1 OW3 129.3(3) . 2_645 ? O5 OW1 OW3 100.1(2) . 2_645 ? O9 OW1 OW3 48.30(19) 2_645 2_645 ? O4 OW1 OW3 99.9(2) 4_565 2_645 ? O1 OW1 OW3 122.8(3) 4_565 2_645 ? OH1 OW1 OW3 74.77(19) . 2_645 ? OW1 OW1 OW3 86.0(3) 3_656 2_645 ? S OW1 OW3 110.42(19) 4_565 2_645 ? OH3 OW1 OW3 86.21(19) 3_656 2_645 ? Te1 OW1 OW3 78.40(15) . 2_645 ? Te4 OW1 OW3 58.77(14) . 2_645 ? OW3 OW1 OW3 121.2(2) 2_655 2_645 ? Fe3 OW1 OW2 127.0(3) . 3_656 ? O4 OW1 OW2 82.8(2) 2_646 3_656 ? OH2 OW1 OW2 59.49(19) . 3_656 ? OW2 OW1 OW2 127.9(2) . 3_656 ? O5 OW1 OW2 162.0(3) . 3_656 ? O9 OW1 OW2 107.8(2) 2_645 3_656 ? O4 OW1 OW2 40.29(18) 4_565 3_656 ? O1 OW1 OW2 81.6(2) 4_565 3_656 ? OH1 OW1 OW2 109.5(2) . 3_656 ? OW1 OW1 OW2 40.49(18) 3_656 3_656 ? S OW1 OW2 59.48(13) 4_565 3_656 ? OH3 OW1 OW2 125.6(2) 3_656 3_656 ? Te1 OW1 OW2 139.97(19) . 3_656 ? Te4 OW1 OW2 82.31(13) . 3_656 ? OW3 OW1 OW2 117.07(19) 2_655 3_656 ? OW3 OW1 OW2 62.19(17) 2_645 3_656 ? Fe3 OW1 Te2 50.38(15) . 2_645 ? O4 OW1 Te2 57.21(18) 2_646 2_645 ? OH2 OW1 Te2 84.3(2) . 2_645 ? OW2 OW1 Te2 96.2(2) . 2_645 ? O5 OW1 Te2 69.23(16) . 2_645 ? O9 OW1 Te2 15.28(13) 2_645 2_645 ? O4 OW1 Te2 133.1(2) 4_565 2_645 ? O1 OW1 Te2 153.4(3) 4_565 2_645 ? OH1 OW1 Te2 79.17(16) . 2_645 ? OW1 OW1 Te2 98.8(3) 3_656 2_645 ? S OW1 Te2 146.46(18) 4_565 2_645 ? OH3 OW1 Te2 50.99(11) 3_656 2_645 ? Te1 OW1 Te2 53.76(8) . 2_645 ? Te4 OW1 Te2 78.79(11) . 2_645 ? OW3 OW1 Te2 125.29(18) 2_655 2_645 ? OW3 OW1 Te2 36.06(12) 2_645 2_645 ? OW2 OW1 Te2 92.90(16) 3_656 2_645 ? Fe3 OW1 Te2 80.2(2) . 2_655 ? O4 OW1 Te2 123.9(2) 2_646 2_655 ? OH2 OW1 Te2 102.4(2) . 2_655 ? OW2 OW1 Te2 70.24(19) . 2_655 ? O5 OW1 Te2 40.68(15) . 2_655 ? O9 OW1 Te2 91.04(19) 2_645 2_655 ? O4 OW1 Te2 117.2(2) 4_565 2_655 ? O1 OW1 Te2 72.6(2) 4_565 2_655 ? OH1 OW1 Te2 57.20(15) . 2_655 ? OW1 OW1 Te2 147.8(3) 3_656 2_655 ? S OW1 Te2 95.32(16) 4_565 2_655 ? OH3 OW1 Te2 81.68(14) 3_656 2_655 ? Te1 OW1 Te2 52.58(8) . 2_655 ? Te4 OW1 Te2 82.47(12) . 2_655 ? OW3 OW1 Te2 35.64(13) 2_655 2_655 ? OW3 OW1 Te2 126.03(17) 2_645 2_655 ? OW2 OW1 Te2 152.67(17) 3_656 2_655 ? Te2 OW1 Te2 106.19(12) 2_645 2_655 ? Fe3 OW1 OH2 75.61(19) . 3_656 ? O4 OW1 OH2 42.63(17) 2_646 3_656 ? OH2 OW1 OH2 134.9(2) . 3_656 ? OW2 OW1 OH2 52.40(18) . 3_656 ? O5 OW1 OH2 109.0(2) . 3_656 ? O9 OW1 OH2 106.1(2) 2_645 3_656 ? O4 OW1 OH2 74.93(19) 4_565 3_656 ? O1 OW1 OH2 103.9(2) 4_565 3_656 ? OH1 OW1 OH2 174.9(2) . 3_656 ? OW1 OW1 OH2 34.98(17) 3_656 3_656 ? S OW1 OH2 91.69(15) 4_565 3_656 ? OH3 OW1 OH2 73.53(14) 3_656 3_656 ? Te1 OW1 OH2 126.30(15) . 3_656 ? Te4 OW1 OH2 157.64(19) . 3_656 ? OW3 OW1 OH2 130.4(2) 2_655 3_656 ? OW3 OW1 OH2 107.2(2) 2_645 3_656 ? OW2 OW1 OH2 75.47(15) 3_656 3_656 ? Te2 OW1 OH2 99.69(15) 2_645 3_656 ? Te2 OW1 OH2 118.87(16) 2_655 3_656 ? Fe3 OW2 O3 118.7(3) . 2_656 ? Fe3 OW2 O2 138.6(4) . . ? O3 OW2 O2 101.6(3) 2_656 . ? Fe3 OW2 OW1 47.68(19) . . ? O3 OW2 OW1 101.5(3) 2_656 . ? O2 OW2 OW1 135.5(3) . . ? Fe3 OW2 O4 45.71(18) . 2_646 ? O3 OW2 O4 159.8(3) 2_656 2_646 ? O2 OW2 O4 96.7(3) . 2_646 ? OW1 OW2 O4 58.8(2) . 2_646 ? Fe3 OW2 O5 43.85(16) . . ? O3 OW2 O5 75.8(2) 2_656 . ? O2 OW2 O5 161.6(3) . . ? OW1 OW2 O5 62.1(2) . . ? O4 OW2 O5 89.5(2) 2_646 . ? Fe3 OW2 OH3 43.20(17) . 3_656 ? O3 OW2 OH3 120.2(3) 2_656 3_656 ? O2 OW2 OH3 109.1(3) . 3_656 ? OW1 OW2 OH3 90.8(2) . 3_656 ? O4 OW2 OH3 60.2(2) 2_646 3_656 ? O5 OW2 OH3 59.32(19) . 3_656 ? Fe3 OW2 O1 142.3(3) . 2_656 ? O3 OW2 O1 47.2(2) 2_656 2_656 ? O2 OW2 O1 73.0(3) . 2_656 ? OW1 OW2 O1 96.7(3) . 2_656 ? O4 OW2 O1 133.2(3) 2_646 2_656 ? O5 OW2 O1 114.8(3) . 2_656 ? OH3 OW2 O1 166.5(3) 3_656 2_656 ? Fe3 OW2 S 139.4(3) . 2_656 ? O3 OW2 S 24.40(15) 2_656 2_656 ? O2 OW2 S 82.0(3) . 2_656 ? OW1 OW2 S 106.6(2) . 2_656 ? O4 OW2 S 156.9(3) 2_646 2_656 ? O5 OW2 S 99.0(2) . 2_656 ? OH3 OW2 S 142.0(3) 3_656 2_656 ? O1 OW2 S 24.57(15) 2_656 2_656 ? Fe3 OW2 Te4 100.8(2) . 4_566 ? O3 OW2 Te4 55.09(19) 2_656 4_566 ? O2 OW2 Te4 94.6(2) . 4_566 ? OW1 OW2 Te4 129.7(2) . 4_566 ? O4 OW2 Te4 132.2(3) 2_646 4_566 ? O5 OW2 Te4 68.75(17) . 4_566 ? OH3 OW2 Te4 72.16(19) 3_656 4_566 ? O1 OW2 Te4 94.5(2) 2_656 4_566 ? S OW2 Te4 70.77(13) 2_656 4_566 ? Fe3 OW2 OH2 129.8(3) . 4_566 ? O3 OW2 OH2 58.1(2) 2_656 4_566 ? O2 OW2 OH2 64.1(2) . 4_566 ? OW1 OW2 OH2 157.2(3) . 4_566 ? O4 OW2 OH2 139.9(3) 2_646 4_566 ? O5 OW2 OH2 100.3(2) . 4_566 ? OH3 OW2 OH2 91.7(2) 3_656 4_566 ? O1 OW2 OH2 77.1(2) 2_656 4_566 ? S OW2 OH2 59.69(16) 2_656 4_566 ? Te4 OW2 OH2 31.89(11) 4_566 4_566 ? Fe3 OW2 OH2 103.6(3) . 3_656 ? O3 OW2 OH2 132.8(3) 2_656 3_656 ? O2 OW2 OH2 45.8(2) . 3_656 ? OW1 OW2 OH2 91.4(2) . 3_656 ? O4 OW2 OH2 58.10(19) 2_646 3_656 ? O5 OW2 OH2 146.6(3) . 3_656 ? OH3 OW2 OH2 104.6(2) 3_656 3_656 ? O1 OW2 OH2 86.5(2) 2_656 3_656 ? S OW2 OH2 108.36(19) 2_656 3_656 ? Te4 OW2 OH2 138.2(2) 4_566 3_656 ? OH2 OW2 OH2 109.78(17) 4_566 3_656 ? Fe3 OW2 S 130.3(3) . . ? O3 OW2 S 104.8(2) 2_656 . ? O2 OW2 S 15.2(2) . . ? OW1 OW2 S 145.1(3) . . ? O4 OW2 S 95.1(2) 2_646 . ? O5 OW2 S 147.1(3) . . ? OH3 OW2 S 95.2(2) 3_656 . ? O1 OW2 S 85.1(2) 2_656 . ? S OW2 S 89.37(14) 2_656 . ? Te4 OW2 S 84.53(15) 4_566 . ? OH2 OW2 S 56.97(14) 4_566 . ? OH2 OW2 S 53.88(12) 3_656 . ? Fe3 OW2 S 53.54(15) . 2_646 ? O3 OW2 S 172.2(2) 2_656 2_646 ? O2 OW2 S 85.8(2) . 2_646 ? OW1 OW2 S 74.3(2) . 2_646 ? O4 OW2 S 15.59(14) 2_646 2_646 ? O5 OW2 S 96.4(2) . 2_646 ? OH3 OW2 S 53.99(16) 3_656 2_646 ? O1 OW2 S 139.0(2) 2_656 2_646 ? S OW2 S 162.9(2) 2_656 2_646 ? Te4 OW2 S 122.40(18) 4_566 2_646 ? OH2 OW2 S 124.6(2) 4_566 2_646 ? OH2 OW2 S 54.66(14) 3_656 2_646 ? S OW2 S 81.70(12) . 2_646 ? Fe3 OW2 OW1 76.8(2) . 3_656 ? O3 OW2 OW1 130.6(3) 2_656 3_656 ? O2 OW2 OW1 84.2(2) . 3_656 ? OW1 OW2 OW1 52.1(2) . 3_656 ? O4 OW2 OW1 42.71(18) 2_646 3_656 ? O5 OW2 OW1 111.6(2) . 3_656 ? OH3 OW2 OW1 102.9(2) 3_656 3_656 ? O1 OW2 OW1 90.5(2) 2_656 3_656 ? S OW2 OW1 114.50(19) 2_656 3_656 ? Te4 OW2 OW1 174.3(2) 4_566 3_656 ? OH2 OW2 OW1 148.1(2) 4_566 3_656 ? OH2 OW2 OW1 39.26(14) 3_656 3_656 ? S OW2 OW1 93.12(15) . 3_656 ? S OW2 OW1 51.98(12) 2_646 3_656 ? Fe3 OW2 OW3 132.7(3) . 4_566 ? O3 OW2 OW3 85.8(2) 2_656 4_566 ? O2 OW2 OW3 54.3(2) . 4_566 ? OW1 OW2 OW3 90.4(2) . 4_566 ? O4 OW2 OW3 98.0(2) 2_646 4_566 ? O5 OW2 OW3 142.0(3) . 4_566 ? OH3 OW2 OW3 153.0(2) 3_656 4_566 ? O1 OW2 OW3 38.62(19) 2_656 4_566 ? S OW2 OW3 62.38(15) 2_656 4_566 ? Te4 OW2 OW3 125.6(2) 4_566 4_566 ? OH2 OW2 OW3 97.4(2) 4_566 4_566 ? OH2 OW2 OW3 48.44(17) 3_656 4_566 ? S OW2 OW3 69.48(14) . 4_566 ? S OW2 OW3 100.68(18) 2_646 4_566 ? OW1 OW2 OW3 57.87(18) 3_656 4_566 ? Fe3 OW2 Te2 83.13(18) . 2_655 ? O3 OW2 Te2 35.83(15) 2_656 2_655 ? O2 OW2 Te2 137.4(3) . 2_655 ? OW1 OW2 Te2 74.11(19) . 2_655 ? O4 OW2 Te2 125.6(2) 2_646 2_655 ? O5 OW2 Te2 41.99(14) . 2_655 ? OH3 OW2 Te2 97.74(18) 3_656 2_655 ? O1 OW2 Te2 73.72(19) 2_656 2_655 ? S OW2 Te2 57.34(10) 2_656 2_655 ? Te4 OW2 Te2 62.48(10) 4_566 2_655 ? OH2 OW2 Te2 83.15(16) 4_566 2_655 ? OH2 OW2 Te2 153.6(2) 3_656 2_655 ? S OW2 Te2 138.35(17) . 2_655 ? S OW2 Te2 136.59(15) 2_646 2_655 ? OW1 OW2 Te2 121.86(17) 3_656 2_655 ? OW3 OW2 Te2 108.47(17) 4_566 2_655 ? Fe3 OW2 Te1 36.39(12) . . ? O3 OW2 Te1 83.89(19) 2_656 . ? O2 OW2 Te1 159.1(3) . . ? OW1 OW2 Te1 61.04(16) . . ? O4 OW2 Te1 82.08(18) 2_646 . ? O5 OW2 Te1 8.29(13) . . ? OH3 OW2 Te1 52.16(14) 3_656 . ? O1 OW2 Te1 122.8(2) 2_656 . ? S OW2 Te1 107.27(15) 2_656 . ? Te4 OW2 Te1 71.79(11) 4_566 . ? OH2 OW2 Te1 103.68(17) 4_566 . ? OH2 OW2 Te1 139.91(19) 3_656 . ? S OW2 Te1 143.83(18) . . ? S OW2 Te1 88.27(12) 2_646 . ? OW1 OW2 Te1 107.75(15) 3_656 . ? OW3 OW2 Te1 146.69(19) 4_566 . ? Te2 OW2 Te1 50.27(7) 2_655 . ? Fe3 OW2 OH1 96.6(2) . 4_566 ? O3 OW2 OH1 75.8(2) 2_656 4_566 ? O2 OW2 OH1 84.0(2) . 4_566 ? OW1 OW2 OH1 138.6(2) . 4_566 ? O4 OW2 OH1 115.0(2) 2_646 4_566 ? O5 OW2 OH1 77.65(19) . 4_566 ? OH3 OW2 OH1 58.63(18) 3_656 4_566 ? O1 OW2 OH1 109.2(2) 2_656 4_566 ? S OW2 OH1 87.88(16) 2_656 4_566 ? Te4 OW2 OH1 21.62(9) 4_566 4_566 ? OH2 OW2 OH1 33.76(14) 4_566 4_566 ? OH2 OW2 OH1 121.18(19) 3_656 4_566 ? S OW2 OH1 70.91(13) . 4_566 ? S OW2 OH1 102.77(16) 2_646 4_566 ? OW1 OW2 OH1 152.84(19) 3_656 4_566 ? OW3 OW2 OH1 129.8(2) 4_566 4_566 ? Te2 OW2 OH1 82.58(13) 2_655 4_566 ? Te1 OW2 OH1 77.71(12) . 4_566 ? Fe3 OW2 OW3 83.3(2) . 3_656 ? O3 OW2 OW3 115.0(3) 2_656 3_656 ? O2 OW2 OW3 70.9(3) . 3_656 ? OW1 OW2 OW3 129.4(2) . 3_656 ? O4 OW2 OW3 79.1(2) 2_646 3_656 ? O5 OW2 OW3 93.4(2) . 3_656 ? OH3 OW2 OW3 41.08(16) 3_656 3_656 ? O1 OW2 OW3 133.8(3) 2_656 3_656 ? S OW2 OW3 121.3(2) 2_656 3_656 ? Te4 OW2 OW3 61.25(15) 4_566 3_656 ? OH2 OW2 OW3 61.72(18) 4_566 3_656 ? OH2 OW2 OW3 88.48(19) 3_656 3_656 ? S OW2 OW3 55.88(13) . 3_656 ? S OW2 OW3 64.84(14) 2_646 3_656 ? OW1 OW2 OW3 113.14(19) 3_656 3_656 ? OW3 OW2 OW3 124.52(16) 4_566 3_656 ? Te2 OW2 OW3 117.86(18) 2_655 3_656 ? Te1 OW2 OW3 88.40(15) . 3_656 ? OH1 OW2 OW3 39.71(14) 4_566 3_656 ? Te2 OW3 O1 120.2(4) . 3_656 ? Te2 OW3 O14 99.7(3) . 2_655 ? O1 OW3 O14 139.1(4) 3_656 2_655 ? Te2 OW3 O9 36.57(15) . . ? O1 OW3 O9 125.8(4) 3_656 . ? O14 OW3 O9 81.0(3) 2_655 . ? Te2 OW3 O8 35.99(14) . . ? O1 OW3 O8 150.2(4) 3_656 . ? O14 OW3 O8 70.0(2) 2_655 . ? O9 OW3 O8 51.44(19) . . ? Te2 OW3 OH1 83.4(2) . 2_645 ? O1 OW3 OH1 86.1(3) 3_656 2_645 ? O14 OW3 OH1 108.5(3) 2_655 2_645 ? O9 OW3 OH1 119.1(3) . 2_645 ? O8 OW3 OH1 75.0(2) . 2_645 ? Te2 OW3 O11 87.9(2) . 3_656 ? O1 OW3 O11 128.0(4) 3_656 3_656 ? O14 OW3 O11 56.6(2) 2_655 3_656 ? O9 OW3 O11 103.2(3) . 3_656 ? O8 OW3 O11 54.80(19) . 3_656 ? OH1 OW3 O11 52.2(2) 2_645 3_656 ? Te2 OW3 OH3 140.9(3) . . ? O1 OW3 OH3 92.2(3) 3_656 . ? O14 OW3 OH3 56.5(2) 2_655 . ? O9 OW3 OH3 137.4(3) . . ? O8 OW3 OH3 105.5(3) . . ? OH1 OW3 OH3 77.2(3) 2_645 . ? O11 OW3 OH3 53.43(19) 3_656 . ? Te2 OW3 OH2 111.3(3) . 2_655 ? O1 OW3 OH2 101.9(3) 3_656 2_655 ? O14 OW3 OH2 50.9(2) 2_655 2_655 ? O9 OW3 OH2 75.1(3) . 2_655 ? O8 OW3 OH2 104.8(3) . 2_655 ? OH1 OW3 OH2 155.2(3) 2_645 2_655 ? O11 OW3 OH2 106.8(3) 3_656 2_655 ? OH3 OW3 OH2 79.0(2) . 2_655 ? Te2 OW3 O2 154.8(4) . 4_565 ? O1 OW3 O2 66.6(3) 3_656 4_565 ? O14 OW3 O2 73.4(2) 2_655 4_565 ? O9 OW3 O2 118.5(3) . 4_565 ? O8 OW3 O2 143.2(3) . 4_565 ? OH1 OW3 O2 121.8(3) 2_645 4_565 ? O11 OW3 O2 106.9(3) 3_656 4_565 ? OH3 OW3 O2 55.1(2) . 4_565 ? OH2 OW3 O2 45.4(2) 2_655 4_565 ? Te2 OW3 Fe2 111.0(2) . 4_565 ? O1 OW3 Fe2 124.1(4) 3_656 4_565 ? O14 OW3 Fe2 33.33(15) 2_655 4_565 ? O9 OW3 Fe2 108.3(2) . 4_565 ? O8 OW3 Fe2 75.06(19) . 4_565 ? OH1 OW3 Fe2 78.6(2) 2_645 4_565 ? O11 OW3 Fe2 32.25(12) 3_656 4_565 ? OH3 OW3 Fe2 32.03(12) . 4_565 ? OH2 OW3 Fe2 77.41(18) 2_655 4_565 ? O2 OW3 Fe2 76.88(19) 4_565 4_565 ? Te2 OW3 Te4 106.1(2) . 2_655 ? O1 OW3 Te4 124.3(3) 3_656 2_655 ? O14 OW3 Te4 23.03(14) 2_655 2_655 ? O9 OW3 Te4 76.6(2) . 2_655 ? O8 OW3 Te4 85.2(2) . 2_655 ? OH1 OW3 Te4 130.6(3) 2_645 2_655 ? O11 OW3 Te4 79.36(19) 3_656 2_655 ? OH3 OW3 Te4 65.12(17) . 2_655 ? OH2 OW3 Te4 27.83(11) 2_655 2_655 ? O2 OW3 Te4 58.69(17) 4_565 2_655 ? Fe2 OW3 Te4 52.45(10) 4_565 2_655 ? Te2 OW3 OW1 80.8(2) . 2_645 ? O1 OW3 OW1 49.0(3) 3_656 2_645 ? O14 OW3 OW1 159.4(3) 2_655 2_645 ? O9 OW3 OW1 109.0(2) . 2_645 ? O8 OW3 OW1 101.6(2) . 2_645 ? OH1 OW3 OW1 50.93(18) 2_645 2_645 ? O11 OW3 OW1 103.0(3) 3_656 2_645 ? OH3 OW3 OW1 110.8(3) . 2_645 ? OH2 OW3 OW1 148.0(3) 2_655 2_645 ? O2 OW3 OW1 114.3(2) 4_565 2_645 ? Fe2 OW3 OW1 127.3(3) 4_565 2_645 ? Te4 OW3 OW1 172.9(2) 2_655 2_645 ? Te2 OW3 OW1 78.5(2) . 2_655 ? O1 OW3 OW1 99.6(3) 3_656 2_655 ? O14 OW3 OW1 78.6(3) 2_655 2_655 ? O9 OW3 OW1 43.86(18) . 2_655 ? O8 OW3 OW1 92.3(3) . 2_655 ? OH1 OW3 OW1 161.5(3) 2_645 2_655 ? O11 OW3 OW1 130.2(3) 3_656 2_655 ? OH3 OW3 OW1 119.8(3) . 2_655 ? OH2 OW3 OW1 40.74(17) 2_655 2_655 ? O2 OW3 OW1 76.3(2) 4_565 2_655 ? Fe2 OW3 OW1 111.5(2) 4_565 2_655 ? Te4 OW3 OW1 59.62(16) 2_655 2_655 ? OW1 OW3 OW1 121.2(2) 2_645 2_655 ? Te2 OW3 Te4 107.4(3) . 2_645 ? O1 OW3 Te4 74.8(3) 3_656 2_645 ? O14 OW3 Te4 103.1(3) 2_655 2_645 ? O9 OW3 Te4 142.6(3) . 2_645 ? O8 OW3 Te4 94.4(2) . 2_645 ? OH1 OW3 Te4 23.96(13) 2_645 2_645 ? O11 OW3 Te4 54.42(18) 3_656 2_645 ? OH3 OW3 Te4 57.64(19) . 2_645 ? OH2 OW3 Te4 136.0(3) 2_655 2_645 ? O2 OW3 Te4 97.8(2) 4_565 2_645 ? Fe2 OW3 Te4 69.83(16) 4_565 2_645 ? Te4 OW3 Te4 120.3(2) 2_655 2_645 ? OW1 OW3 Te4 57.86(15) 2_645 2_645 ? OW1 OW3 Te4 173.3(2) 2_655 2_645 ? Te2 OW3 OH2 108.6(3) . 2_645 ? O1 OW3 OH2 51.3(3) 3_656 2_645 ? O14 OW3 OH2 126.4(3) 2_655 2_645 ? O9 OW3 OH2 143.5(3) . 2_645 ? O8 OW3 OH2 110.6(3) . 2_645 ? OH1 OW3 OH2 36.03(16) 2_645 2_645 ? O11 OW3 OH2 79.6(2) 3_656 2_645 ? OH3 OW3 OH2 73.5(2) . 2_645 ? OH2 OW3 OH2 139.7(3) 2_655 2_645 ? O2 OW3 OH2 94.4(2) 4_565 2_645 ? Fe2 OW3 OH2 93.4(2) 4_565 2_645 ? Te4 OW3 OH2 138.4(2) 2_655 2_645 ? OW1 OW3 OH2 37.36(14) 2_645 2_645 ? OW1 OW3 OH2 150.2(2) 2_655 2_645 ? Te4 OW3 OH2 25.44(9) 2_645 2_645 ? Te2 OW3 OW2 126.7(3) . 4_565 ? O1 OW3 OW2 46.9(2) 3_656 4_565 ? O14 OW3 OW2 102.8(3) 2_655 4_565 ? O9 OW3 OW2 101.5(3) . 4_565 ? O8 OW3 OW2 152.2(3) . 4_565 ? OH1 OW3 OW2 131.4(3) 2_645 4_565 ? O11 OW3 OW2 144.1(3) 3_656 4_565 ? OH3 OW3 OW2 90.9(2) . 4_565 ? OH2 OW3 OW2 55.78(18) 2_655 4_565 ? O2 OW3 OW2 37.60(16) 4_565 4_565 ? Fe2 OW3 OW2 114.3(2) 4_565 4_565 ? Te4 OW3 OW2 81.57(17) 2_655 4_565 ? OW1 OW3 OW2 92.93(18) 2_645 4_565 ? OW1 OW3 OW2 59.94(17) 2_655 4_565 ? Te4 OW3 OW2 113.4(2) 2_645 4_565 ? OH2 OW3 OW2 95.40(19) 2_645 4_565 ? Te2 OW3 OH1 83.4(2) . 2_655 ? O1 OW3 OH1 134.4(3) 3_656 2_655 ? O14 OW3 OH1 36.04(17) 2_655 2_655 ? O9 OW3 OH1 52.00(18) . 2_655 ? O8 OW3 OH1 71.0(2) . 2_655 ? OH1 OW3 OH1 138.0(3) 2_645 2_655 ? O11 OW3 OH1 87.6(2) 3_656 2_655 ? OH3 OW3 OH1 88.7(2) . 2_655 ? OH2 OW3 OH1 33.81(15) 2_655 2_655 ? O2 OW3 OH1 77.1(2) 4_565 2_655 ? Fe2 OW3 OH1 69.36(14) 4_565 2_655 ? Te4 OW3 OH1 24.56(9) 2_655 2_655 ? OW1 OW3 OH1 160.5(3) 2_645 2_655 ? OW1 OW3 OH1 43.61(15) 2_655 2_655 ? Te4 OW3 OH1 139.0(2) 2_645 2_655 ? OH2 OW3 OH1 161.9(2) 2_645 2_655 ? OW2 OW3 OH1 87.5(2) 4_565 2_655 ? Te2 OW3 OW2 151.4(3) . 3_656 ? O1 OW3 OW2 57.2(3) 3_656 3_656 ? O14 OW3 OW2 92.2(2) 2_655 3_656 ? O9 OW3 OW2 171.3(3) . 3_656 ? O8 OW3 OW2 131.1(3) . 3_656 ? OH1 OW3 OW2 68.1(2) 2_645 3_656 ? O11 OW3 OW2 77.2(2) 3_656 3_656 ? OH3 OW3 OW2 36.48(16) . 3_656 ? OH2 OW3 OW2 96.3(2) 2_655 3_656 ? O2 OW3 OW2 53.7(2) 4_565 3_656 ? Fe2 OW3 OW2 67.26(16) 4_565 3_656 ? Te4 OW3 OW2 95.06(17) 2_655 3_656 ? OW1 OW3 OW2 79.14(19) 2_645 3_656 ? OW1 OW3 OW2 129.6(2) 2_655 3_656 ? Te4 OW3 OW2 44.26(12) 2_645 3_656 ? OH2 OW3 OW2 45.19(14) 2_645 3_656 ? OW2 OW3 OW2 74.59(15) 4_565 3_656 ? OH1 OW3 OW2 119.56(19) 2_655 3_656 ? Te2 OW3 Te3 69.23(16) . 4_665 ? O1 OW3 Te3 168.5(4) 3_656 4_665 ? O14 OW3 Te3 34.55(15) 2_655 4_665 ? O9 OW3 Te3 65.60(16) . 4_665 ? O8 OW3 Te3 35.87(13) . 4_665 ? OH1 OW3 Te3 88.8(2) 2_645 4_665 ? O11 OW3 Te3 42.36(14) 3_656 4_665 ? OH3 OW3 Te3 76.63(17) . 4_665 ? OH2 OW3 Te3 78.78(18) 2_655 4_665 ? O2 OW3 Te3 107.9(2) 4_565 4_665 ? Fe2 OW3 Te3 44.65(9) 4_565 4_665 ? Te4 OW3 Te3 53.33(9) 2_655 4_665 ? OW1 OW3 Te3 132.5(2) 2_645 4_665 ? OW1 OW3 Te3 88.46(18) 2_655 4_665 ? Te4 OW3 Te3 96.61(17) 2_645 4_665 ? OH2 OW3 Te3 121.3(2) 2_645 4_665 ? OW2 OW3 Te3 134.5(2) 4_565 4_665 ? OH1 OW3 Te3 49.27(11) 2_655 4_665 ? OW2 OW3 Te3 111.40(18) 3_656 4_665 ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 25.06 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 1.451 _refine_diff_density_min -0.869 _refine_diff_density_rms 0.212