data_h263-b _audit_creation_date 2014-01-03 _audit_creation_method ; Olex2 1.1 (compiled 2011.02.15 svn.r1672, GUI svn.r3494) ; _chemical_name_common ? _chemical_name_systematic ; ? ; _chemical_formula_moiety 'Fe2 Na8.2733 O18 P4, H0.2 O0.1' _chemical_formula_sum 'H0.13 Fe2 Na8.60 O18 P4' _chemical_formula_weight 721.42 _chemical_melting_point ? _chemical_oxdiff_formula 'Fe16 Na68 O144 P32 ' loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Na' 'Na' 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 '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' _space_group_crystal_system 'orthorhombic' _space_group_IT_number 62 _space_group_name_H-M_alt 'P n m a' _space_group_name_Hall '-P 2ac 2n' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 'x, y, z' 2 '-x+1/2, -y, z+1/2' 3 'x+1/2, -y+1/2, -z+1/2' 4 '-x, y+1/2, -z' 5 '-x, -y, -z' 6 'x-1/2, y, -z-1/2' 7 '-x-1/2, y-1/2, z-1/2' 8 'x, -y-1/2, z' _cell_length_a 15.5004(8) _cell_length_b 7.1465(5) _cell_length_c 29.2390(19) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 3238.9(3) _cell_formula_units_Z 8 _cell_measurement_reflns_used 2480 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 26.3237 _cell_measurement_theta_min 2.9282 _exptl_absorpt_coefficient_mu 2.520 _exptl_absorpt_correction_T_max 0.806 _exptl_absorpt_correction_T_min 0.594 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro, Agilent Technologies, Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET) (compiled Aug 3 2011,13:03:54) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) ; _exptl_crystal_colour ? _exptl_crystal_density_diffrn 2.959 _exptl_crystal_density_meas ? _exptl_crystal_density_method 'not measured' _exptl_crystal_description ? _exptl_crystal_F_000 2806 _exptl_crystal_size_max 0.2684 _exptl_crystal_size_mid 0.1337 _exptl_crystal_size_min 0.1132 _exptl_special_details ; ? ; _diffrn_reflns_av_R_equivalents 0.0226 _diffrn_reflns_av_unetI/netI 0.0240 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_k_max 8 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_l_max 35 _diffrn_reflns_limit_l_min -36 _diffrn_reflns_number 10232 _diffrn_reflns_theta_full 26.38 _diffrn_reflns_theta_max 26.38 _diffrn_reflns_theta_min 2.93 _diffrn_ambient_temperature 293(2) _diffrn_detector_area_resol_mean 16.0087 _diffrn_measured_fraction_theta_full 0.994 _diffrn_measured_fraction_theta_max 0.994 _diffrn_measurement_details ; #__ type_ start__ end____ width___ exp.time_ 1 omega 36.00 61.00 1.0000 37.1600 omega____ theta____ kappa____ phi______ frames - 18.0880 -19.0000 0.0000 25 #__ type_ start__ end____ width___ exp.time_ 2 omega -17.00 53.00 1.0000 37.1600 omega____ theta____ kappa____ phi______ frames - 18.0880 -99.0000 90.0000 70 #__ type_ start__ end____ width___ exp.time_ 3 omega -18.00 17.00 1.0000 37.1600 omega____ theta____ kappa____ phi______ frames - 18.0880 -99.0000 -120.0000 35 #__ type_ start__ end____ width___ exp.time_ 4 omega -55.00 -13.00 1.0000 37.1600 omega____ theta____ kappa____ phi______ frames - 18.0880 -19.0000 0.0000 42 ; _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_UB_11 -0.0213011000 _diffrn_orient_matrix_UB_12 0.0691188000 _diffrn_orient_matrix_UB_13 0.0132596000 _diffrn_orient_matrix_UB_21 0.0327059000 _diffrn_orient_matrix_UB_22 -0.0067506000 _diffrn_orient_matrix_UB_23 0.0168957000 _diffrn_orient_matrix_UB_31 0.0238576000 _diffrn_orient_matrix_UB_32 0.0709543000 _diffrn_orient_matrix_UB_33 -0.0112773000 _diffrn_radiation_monochromator graphite _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.7107 _diffrn_source 'Enhance (Mo) X-ray Source' _diffrn_standards_decay_% ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_number ? _reflns_number_gt 2548 _reflns_number_total 3570 _reflns_odcompleteness_completeness 99.29 _reflns_odcompleteness_iscentric 1 _reflns_odcompleteness_theta 26.32 _reflns_threshold_expression >2sigma(I) _computing_cell_refinement ; CrysAlisPro, Agilent Technologies, Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET) (compiled Aug 3 2011,13:03:54) ; _computing_data_collection ; CrysAlisPro, Agilent Technologies, Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET) (compiled Aug 3 2011,13:03:54) ; _computing_data_reduction ; CrysAlisPro, Agilent Technologies, Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET) (compiled Aug 3 2011,13:03:54) ; _computing_molecular_graphics ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_publication_material ; O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann, OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Cryst. (2009). 42, 339-341. ; _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'A short history of SHELX (Sheldrick, 2007)' _refine_diff_density_max 0.751 _refine_diff_density_min -0.425 _refine_diff_density_rms 0.100 _refine_ls_extinction_coef 0.00024(4) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_extinction_method SHELXL _refine_ls_goodness_of_fit_ref 1.062 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 358 _refine_ls_number_reflns 3570 _refine_ls_number_restraints 3 _refine_ls_R_factor_all 0.0618 _refine_ls_R_factor_gt 0.0395 _refine_ls_restrained_S_all 1.061 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0376P)^2^+7.5842P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1039 _refine_ls_wR_factor_ref 0.1156 _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. ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap 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 Fe1A Fe 1.00252(3) 0.50658(7) 0.750095(17) 0.01301(17) Uani 1 1 d . . . Fe0A Fe 0.5000 0.5000 0.5000 0.0117(2) Uani 1 2 d S . . Fe Fe 0.0000 0.0000 0.5000 0.0125(2) Uani 1 2 d S . . P3AA P 0.86765(8) 1.2500 0.68671(4) 0.0116(3) Uani 1 2 d S . . P4 P 1.12815(8) 1.2500 0.68407(4) 0.0123(3) Uani 1 2 d S . . P0AA P 1.37545(8) 0.7500 0.43223(4) 0.0113(3) Uani 1 2 d S . . P4AA P 0.87573(8) 0.7500 0.81750(5) 0.0134(3) Uani 1 2 d S . . P1AA P 0.36663(8) 0.2500 0.55971(4) 0.0129(3) Uani 1 2 d S . . P5AA P 1.12352(8) 0.7500 0.57006(5) 0.0134(3) Uani 1 2 d S . . P P 0.86388(8) 0.7500 0.56218(4) 0.0131(3) Uani 1 2 d S . . P2AA P 1.36093(8) 0.2500 0.31302(4) 0.0118(3) Uani 1 2 d S . . Na1 Na 0.62766(13) 0.7500 0.55845(7) 0.0211(5) Uani 1 2 d S . . Na5A Na 1.36746(18) 1.2500 0.18881(10) 0.0203(11) Uani 0.724(8) 2 d SP . . Na0A Na 1.24484(10) -0.0135(2) 0.38199(7) 0.0347(5) Uani 1 1 d . . . Na7 Na 0.98203(11) 1.0002(2) 0.62497(5) 0.0255(4) Uani 1 1 d . . . Na2 Na 1.36378(12) 0.7500 0.30288(7) 0.0174(5) Uani 1 2 d S . . Na2A Na 0.75929(10) 1.0071(2) 0.76305(6) 0.0284(4) Uani 1 1 d . . . Na3A Na 1.49347(10) 0.5126(2) 0.37025(5) 0.0256(4) Uani 1 1 d . . . Na4A Na 1.27443(13) 0.9989(2) 0.62328(5) 0.0330(4) Uani 1 1 d . . . Na3 Na 0.12426(13) 0.2500 0.56744(7) 0.0207(5) Uani 1 2 d S . . Na Na 0.86731(16) 0.7500 0.69340(9) 0.0193(9) Uani 0.823(8) 2 d SP . . Na1A Na 1.24668(9) 0.9797(2) 0.50687(6) 0.0236(4) Uani 1 1 d . . . O0AA O 1.5075(2) 0.7500 0.28055(12) 0.0138(8) Uani 1 2 d S . . O8AA O 1.0058(2) 0.7500 0.72215(13) 0.0197(9) Uani 1 2 d S . . O4AA O -0.0060(2) 0.2500 0.53067(12) 0.0159(8) Uani 1 2 d S . . O6 O 1.0766(2) 1.2500 0.63991(12) 0.0194(8) Uani 1 2 d S . . O7 O 1.2254(2) 1.2500 0.67535(12) 0.0189(8) Uani 1 2 d S . . O5AA O 0.7710(2) 0.7500 0.54591(14) 0.0288(10) Uani 1 2 d S . . O6AA O -0.08962(18) -0.0747(4) 0.54498(10) 0.0309(7) Uani 1 1 d . . . O2AA O 0.90154(15) 0.5720(4) 0.79067(9) 0.0210(6) Uani 1 1 d . . . O3AA O 1.39315(15) 0.9246(4) 0.21377(8) 0.0197(6) Uani 1 1 d . . . O7AA O 0.8689(13) 0.2500 0.5566(7) 0.028(5) Uani 0.20 2 d SPD . . O1AA O 0.8669(2) 0.7500 0.61435(13) 0.0259(9) Uani 1 2 d S . . O24 O 0.8583(2) 1.2500 0.63450(12) 0.0178(8) Uani 1 2 d S . . O25 O 0.91783(15) 1.0715(4) 0.70051(8) 0.0176(6) Uani 1 1 d . . . O31 O 1.2768(2) 0.2500 0.28615(15) 0.0300(10) Uani 1 2 d S . . O33 O 1.3445(3) 0.2500 0.36472(13) 0.0260(9) Uani 1 2 d S . . O15 O 0.7789(2) 1.2500 0.70995(13) 0.0232(9) Uani 1 2 d S . . O16 O 1.09580(17) 0.9284(4) 0.54331(9) 0.0264(7) Uani 1 1 d . . . O17 O 1.4173(3) 1.2500 0.11703(13) 0.0278(10) Uani 1 2 d S . . O22 O 1.2220(2) 0.7500 0.57126(13) 0.0220(9) Uani 1 2 d S . . O13 O 1.41425(15) 0.4271(4) 0.30133(8) 0.0170(6) Uani 1 1 d . . . O26 O 1.42634(15) 0.5719(4) 0.44565(8) 0.0171(6) Uani 1 1 d . . . O23 O 0.7770(2) 0.7500 0.82126(12) 0.0167(8) Uani 1 2 d S . . O29 O 1.5843(2) 0.2500 0.36509(13) 0.0229(9) Uani 1 2 d S . . O21 O 0.4868(2) 0.7500 0.52984(12) 0.0144(8) Uani 1 2 d S . . O18 O 1.3671(2) 0.7500 0.38017(11) 0.0176(8) Uani 1 2 d S . . O11 O 0.2673(2) 0.2500 0.56406(12) 0.0170(8) Uani 1 2 d S . . O20 O 0.39161(15) 0.4241(4) 0.53143(9) 0.0190(6) Uani 1 1 d . . . O10 O 1.2863(2) 0.7500 0.45400(13) 0.0213(9) Uani 1 2 d S . . O27 O 1.5929(2) 0.7500 0.39322(12) 0.0214(9) Uani 1 2 d S . . H7A H 0.900(5) 0.1534(15) 0.551(7) 0.032 Uiso 0.20 1 d PD . . 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 Fe1A 0.0132(3) 0.0142(3) 0.0117(3) -0.0001(2) -0.0010(2) 0.0002(2) Fe0A 0.0126(4) 0.0105(4) 0.0121(4) 0.0007(3) -0.0009(3) -0.0005(3) Fe 0.0137(4) 0.0119(4) 0.0121(4) 0.0008(3) 0.0005(3) -0.0005(3) P3AA 0.0118(6) 0.0107(7) 0.0124(6) 0.000 -0.0009(5) 0.000 P4 0.0121(6) 0.0143(7) 0.0104(6) 0.000 0.0016(5) 0.000 P0AA 0.0124(6) 0.0125(7) 0.0091(6) 0.000 -0.0012(5) 0.000 P4AA 0.0122(6) 0.0119(7) 0.0162(7) 0.000 0.0002(5) 0.000 P1AA 0.0117(6) 0.0143(7) 0.0125(6) 0.000 0.0020(5) 0.000 P5AA 0.0129(6) 0.0132(7) 0.0141(6) 0.000 -0.0022(5) 0.000 P 0.0128(6) 0.0124(7) 0.0140(7) 0.000 0.0025(5) 0.000 P2AA 0.0131(6) 0.0104(7) 0.0117(6) 0.000 0.0017(5) 0.000 Na1 0.0162(10) 0.0237(12) 0.0233(11) 0.000 -0.0033(9) 0.000 Na5A 0.0160(16) 0.0193(18) 0.0255(18) 0.000 -0.0041(13) 0.000 Na0A 0.0227(9) 0.0284(10) 0.0532(12) -0.0119(9) -0.0012(8) 0.0006(8) Na7 0.0263(8) 0.0224(9) 0.0279(9) -0.0068(7) 0.0035(7) -0.0027(7) Na2 0.0144(10) 0.0206(11) 0.0171(10) 0.000 -0.0002(8) 0.000 Na2A 0.0337(9) 0.0264(10) 0.0250(9) 0.0030(7) -0.0047(7) 0.0100(8) Na3A 0.0244(8) 0.0273(10) 0.0251(9) -0.0074(8) -0.0026(6) 0.0038(8) Na4A 0.0488(10) 0.0273(10) 0.0230(9) 0.0063(7) -0.0035(8) 0.0027(9) Na3 0.0164(10) 0.0252(12) 0.0206(11) 0.000 -0.0010(9) 0.000 Na 0.0177(14) 0.0196(16) 0.0204(15) 0.000 -0.0010(11) 0.000 Na1A 0.0254(9) 0.0233(9) 0.0220(8) -0.0018(7) 0.0035(6) -0.0032(7) O0AA 0.0169(17) 0.0108(18) 0.0138(18) 0.000 0.0007(14) 0.000 O8AA 0.025(2) 0.0135(19) 0.021(2) 0.000 -0.0028(16) 0.000 O4AA 0.0223(19) 0.0088(18) 0.0167(19) 0.000 -0.0022(15) 0.000 O6 0.0233(19) 0.022(2) 0.0126(18) 0.000 -0.0015(15) 0.000 O7 0.0148(17) 0.022(2) 0.0204(19) 0.000 0.0042(16) 0.000 O5AA 0.0167(18) 0.044(3) 0.026(2) 0.000 -0.0074(17) 0.000 O6AA 0.0362(16) 0.0163(15) 0.0402(18) 0.0013(14) 0.0213(14) -0.0016(14) O2AA 0.0172(12) 0.0154(14) 0.0306(15) -0.0049(13) 0.0053(11) -0.0009(12) O3AA 0.0168(12) 0.0205(15) 0.0217(13) -0.0058(13) -0.0028(10) -0.0006(12) O7AA 0.042(12) 0.016(10) 0.025(11) 0.000 0.016(10) 0.000 O1AA 0.029(2) 0.030(2) 0.019(2) 0.000 -0.0032(17) 0.000 O24 0.0225(19) 0.0184(19) 0.0125(17) 0.000 -0.0044(15) 0.000 O25 0.0183(12) 0.0150(14) 0.0196(13) 0.0007(12) -0.0049(10) 0.0029(11) O31 0.0192(19) 0.026(2) 0.045(3) 0.000 -0.0131(19) 0.000 O33 0.041(2) 0.019(2) 0.018(2) 0.000 0.0120(18) 0.000 O15 0.0137(18) 0.027(2) 0.029(2) 0.000 0.0044(16) 0.000 O16 0.0316(15) 0.0160(15) 0.0316(16) -0.0001(13) -0.0171(13) 0.0024(13) O17 0.031(2) 0.034(2) 0.018(2) 0.000 -0.0069(17) 0.000 O22 0.0178(19) 0.027(2) 0.021(2) 0.000 -0.0022(16) 0.000 O13 0.0201(12) 0.0160(14) 0.0150(12) -0.0010(12) 0.0045(10) -0.0025(12) O26 0.0203(12) 0.0158(14) 0.0151(12) -0.0003(12) -0.0069(10) 0.0014(12) O23 0.0134(17) 0.0177(19) 0.0191(19) 0.000 0.0009(15) 0.000 O29 0.0226(19) 0.024(2) 0.022(2) 0.000 0.0059(17) 0.000 O21 0.0176(17) 0.0101(18) 0.0156(18) 0.000 0.0024(15) 0.000 O18 0.0242(19) 0.018(2) 0.0106(17) 0.000 -0.0023(15) 0.000 O11 0.0124(16) 0.0184(19) 0.0203(19) 0.000 0.0024(15) 0.000 O20 0.0147(12) 0.0181(14) 0.0241(14) 0.0057(13) 0.0044(11) -0.0013(12) O10 0.0167(18) 0.023(2) 0.024(2) 0.000 0.0016(16) 0.000 O27 0.0216(19) 0.027(2) 0.0157(19) 0.000 -0.0012(16) 0.000 _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 Fe1A Na5A 3.209(2) 2_775 ? Fe1A Na2 3.1685(17) 2_765 ? Fe1A Na3A 3.5164(17) 2_765 ? Fe1A Na 3.188(2) . ? Fe1A O0AA 2.0444(16) 2_765 ? Fe1A O8AA 1.9226(17) . ? Fe1A O2AA 2.019(2) . ? Fe1A O3AA 2.021(2) 7_856 ? Fe1A O25 2.034(2) 8_575 ? Fe1A O13 2.033(2) 2_765 ? Fe0A Na1 3.1668(17) 5_666 ? Fe0A Na1 3.1667(17) . ? Fe0A O26 2.023(2) 1_455 ? Fe0A O26 2.023(2) 5_766 ? Fe0A O21 1.9988(15) 5_666 ? Fe0A O21 1.9987(15) . ? Fe0A O20 1.990(2) 5_666 ? Fe0A O20 1.990(2) . ? Fe Na3 3.2848(17) . ? Fe Na3 3.2848(17) 5_556 ? Fe O4AA 2.0012(16) 5_556 ? Fe O4AA 2.0012(16) . ? Fe O6AA 1.986(3) 5_556 ? Fe O6AA 1.986(3) . ? Fe O16 2.017(2) 5_666 ? Fe O16 2.017(2) 1_445 ? P3AA Na0A 3.152(2) 5_766 ? P3AA Na0A 3.152(2) 4_766 ? P3AA Na7 3.0968(19) . ? P3AA Na7 3.0967(19) 8_585 ? P3AA Na2A 3.289(2) . ? P3AA Na2A 3.289(2) 8_585 ? P3AA O24 1.534(4) . ? P3AA O25 1.547(3) . ? P3AA O25 1.547(3) 8_585 ? P3AA O15 1.534(4) . ? P4 Na7 3.3620(19) 8_585 ? P4 Na7 3.3620(19) . ? P4 Na2A 3.0881(19) 3_576 ? P4 Na2A 3.0881(19) 6_657 ? P4 Na4A 3.394(2) . ? P4 Na4A 3.394(2) 8_585 ? P4 Na3 3.411(3) 1_665 ? P4 O6 1.518(4) . ? P4 O7 1.529(4) . ? P4 O3AA 1.556(3) 2_775 ? P4 O3AA 1.556(3) 7_866 ? P0AA Na0A 3.019(2) 1_565 ? P0AA Na0A 3.019(2) 8_565 ? P0AA Na3A 3.0838(19) 8_575 ? P0AA Na3A 3.0838(19) . ? P0AA Na1A 3.3825(19) . ? P0AA Na1A 3.3824(19) 8_575 ? P0AA O26 1.548(3) 8_575 ? P0AA O26 1.548(3) . ? P0AA O18 1.528(3) . ? P0AA O10 1.521(4) . ? P4AA Na2A 3.0277(19) 8_575 ? P4AA Na2A 3.0277(19) . ? P4AA Na3A 3.1640(19) 7_866 ? P4AA Na3A 3.1640(19) 2_765 ? P4AA Na4A 2.937(2) 3_466 ? P4AA Na4A 2.937(2) 6_557 ? P4AA O2AA 1.547(3) 8_575 ? P4AA O2AA 1.547(3) . ? P4AA O23 1.535(3) . ? P4AA O29 1.523(4) 2_765 ? P1AA Na1 3.456(3) 5_666 ? P1AA Na3A 3.4316(19) 4_746 ? P1AA Na3A 3.4316(19) 5_766 ? P1AA Na4A 2.953(2) 1_445 ? P1AA Na4A 2.953(2) 8_475 ? P1AA Na1A 3.0946(18) 8_475 ? P1AA Na1A 3.0946(18) 1_445 ? P1AA O11 1.544(3) . ? P1AA O20 1.543(3) . ? P1AA O20 1.543(3) 8_565 ? P1AA O27 1.513(4) 5_766 ? P5AA Na7 3.2535(19) 8_575 ? P5AA Na7 3.2534(19) . ? P5AA Na4A 3.325(2) . ? P5AA Na4A 3.325(2) 8_575 ? P5AA Na1A 3.1227(19) . ? P5AA Na1A 3.1227(19) 8_575 ? P5AA O16 1.556(3) 8_575 ? P5AA O16 1.556(3) . ? P5AA O17 1.512(4) 2_775 ? P5AA O22 1.527(4) . ? P Na0A 3.008(2) 5_766 ? P Na0A 3.008(2) 4_756 ? P Na7 3.1499(19) . ? P Na7 3.1499(19) 8_575 ? P Na1A 3.2781(19) 5_776 ? P Na1A 3.2782(19) 4_746 ? P O5AA 1.517(4) . ? P O6AA 1.530(3) 8_665 ? P O6AA 1.530(3) 1_665 ? P O1AA 1.526(4) . ? P2AA Na0A 3.294(2) 8_565 ? P2AA Na0A 3.294(2) . ? P2AA Na2A 3.434(2) 5_766 ? P2AA Na2A 3.434(2) 4_746 ? P2AA Na3A 3.2467(19) . ? P2AA Na3A 3.2467(19) 8_565 ? P2AA O31 1.522(4) . ? P2AA O33 1.533(4) . ? P2AA O13 1.550(3) 8_565 ? P2AA O13 1.550(3) . ? Na1 Fe0A 3.1666(17) 4_656 ? Na1 Na0A 3.238(2) 4_756 ? Na1 Na0A 3.238(2) 5_766 ? Na1 Na1A 3.343(2) 5_776 ? Na1 O5AA 2.251(4) . ? Na1 O33 2.288(4) 5_766 ? Na1 O26 2.451(3) 5_766 ? Na1 O26 2.451(3) 4_756 ? Na1 O21 2.338(4) . ? Na1 O20 2.923(3) 4_656 ? Na1 O20 2.923(3) 5_666 ? Na5A Fe1A 3.209(2) 7_865 ? Na5A Fe1A 3.209(2) 2_774 ? Na5A Na7 3.482(3) 2_774 ? Na5A Na2A 3.036(3) 5_776 ? Na5A Na2A 3.036(3) 4_756 ? Na5A Na4A 3.416(3) 7_865 ? Na5A Na4A 3.416(3) 2_774 ? Na5A O8AA 2.193(5) 2_774 ? Na5A O3AA 2.469(3) 8_585 ? Na5A O3AA 2.469(3) . ? Na5A O17 2.237(5) . ? Na5A O23 2.258(4) 5_776 ? Na0A P3AA 3.152(2) 5_766 ? Na0A P0AA 3.019(2) 1_545 ? Na0A P 3.008(2) 5_766 ? Na0A Na1 3.238(2) 5_766 ? Na0A Na 3.380(3) 5_766 ? Na0A O5AA 2.837(3) 5_766 ? Na0A O1AA 2.560(3) 5_766 ? Na0A O24 2.376(3) 5_766 ? Na0A O33 2.488(3) . ? Na0A O18 2.540(3) 1_545 ? Na0A O10 2.776(4) 1_545 ? Na7 Na3 3.298(2) 1_665 ? Na7 Na 3.219(3) . ? Na7 O6 2.351(3) . ? Na7 O6AA 2.644(3) 1_665 ? Na7 O1AA 2.546(3) . ? Na7 O24 2.635(3) . ? Na7 O25 2.476(3) . ? Na7 O16 3.012(3) . ? Na7 O17 2.384(3) 2_775 ? Na2 Fe1A 3.1685(17) 2_764 ? Na2 Fe1A 3.1685(17) 7_865 ? Na2 Na2A 3.220(2) 4_746 ? Na2 Na2A 3.220(2) 5_776 ? Na2 Na3A 3.286(2) 8_575 ? Na2 O0AA 2.321(4) . ? Na2 O3AA 2.925(3) 8_575 ? Na2 O3AA 2.925(3) . ? Na2 O15 2.243(4) 5_776 ? Na2 O13 2.437(3) 8_575 ? Na2 O13 2.437(3) . ? Na2 O18 2.260(4) . ? Na2A P4 3.0881(19) 6_557 ? Na2A Na5A 3.036(3) 5_776 ? Na2A Na2 3.220(2) 5_776 ? Na2A Na 3.213(3) . ? Na2A O7 2.556(3) 6_557 ? Na2A O2AA 2.415(3) 8_575 ? Na2A O3AA 2.506(3) 5_776 ? Na2A O31 2.400(3) 5_766 ? Na2A O15 2.349(3) . ? Na2A O23 2.519(3) . ? Na3A P4AA 3.1639(19) 2_764 ? Na3A Na1 3.375(2) 5_766 ? Na3A O2AA 2.903(3) 2_764 ? Na3A O33 2.979(4) . ? Na3A O13 2.438(3) . ? Na3A O26 2.474(3) . ? Na3A O29 2.351(3) . ? Na3A O18 2.607(3) . ? Na3A O27 2.388(3) . ? Na4A P4AA 2.937(2) 6_657 ? Na4A P1AA 2.953(2) 1_665 ? Na4A Na2A 3.332(2) 6_657 ? Na4A Na3 3.362(2) 1_665 ? Na4A O7 2.473(3) . ? Na4A O22 2.477(3) . ? Na4A O23 2.407(3) 6_657 ? Na4A O29 2.842(3) 5_866 ? Na4A O11 2.496(3) 1_665 ? Na4A O27 2.772(3) 5_876 ? Na3 Fe 3.2848(17) 4_556 ? Na3 Na7 3.298(2) 8_475 ? Na3 Na7 3.298(2) 1_445 ? Na3 Na4A 3.362(2) 1_445 ? Na3 Na1A 3.236(2) 8_475 ? Na3 Na1A 3.236(2) 1_445 ? Na3 O4AA 2.287(4) . ? Na3 O6 2.244(4) 1_445 ? Na3 O16 2.444(3) 1_445 ? Na3 O16 2.444(3) 8_475 ? Na3 O11 2.220(4) . ? Na Fe1A 3.188(2) 8_575 ? Na Na0A 3.380(3) 4_756 ? Na Na7 3.219(3) 8_575 ? Na Na2A 3.213(3) 8_575 ? Na O8AA 2.305(4) . ? Na O1AA 2.312(4) . ? Na O25 2.437(3) . ? Na O25 2.437(3) 8_575 ? Na O31 2.313(5) 5_766 ? Na1A P1AA 3.0947(18) 1_665 ? Na1A P 3.2781(19) 5_776 ? Na1A Na3 3.236(2) 1_665 ? Na1A Na1A 3.282(3) 8_575 ? Na1A O5AA 2.488(3) 5_776 ? Na1A O6AA 2.947(3) 5_666 ? Na1A O16 2.596(3) . ? Na1A O22 2.527(3) . ? Na1A O11 2.575(3) 1_665 ? Na1A O20 2.457(3) 8_675 ? Na1A O10 2.337(3) . ? O0AA Fe1A 2.0444(16) 2_764 ? O0AA Fe1A 2.0444(16) 7_865 ? O8AA Fe1A 1.9226(17) 8_575 ? O8AA Na5A 2.193(5) 2_775 ? O4AA Fe 2.0011(16) 4_556 ? O6 Na7 2.351(3) 8_585 ? O6 Na3 2.244(4) 1_665 ? O7 Na2A 2.556(3) 6_657 ? O7 Na2A 2.556(3) 3_576 ? O7 Na4A 2.473(3) 8_585 ? O5AA Na0A 2.837(3) 5_766 ? O5AA Na0A 2.837(3) 4_756 ? O5AA Na1A 2.488(3) 4_746 ? O5AA Na1A 2.488(3) 5_776 ? O6AA P 1.530(3) 1_445 ? O6AA Na7 2.644(3) 1_445 ? O6AA Na1A 2.947(3) 5_666 ? O2AA Na2A 2.415(3) 8_575 ? O2AA Na3A 2.903(3) 2_765 ? O3AA Fe1A 2.021(2) 7_865 ? O3AA P4 1.556(3) 2_774 ? O3AA Na2A 2.506(3) 5_776 ? O1AA Na0A 2.560(3) 4_756 ? O1AA Na0A 2.560(3) 5_766 ? O1AA Na7 2.546(3) 8_575 ? O24 Na0A 2.376(3) 5_766 ? O24 Na0A 2.376(3) 4_766 ? O24 Na7 2.635(3) 8_585 ? O25 Fe1A 2.034(2) 8_575 ? O31 Na2A 2.400(3) 5_766 ? O31 Na2A 2.400(3) 4_746 ? O31 Na 2.313(5) 5_766 ? O33 Na1 2.287(4) 5_766 ? O33 Na0A 2.488(3) 8_565 ? O33 Na3A 2.979(4) 8_565 ? O15 Na2 2.243(4) 5_776 ? O15 Na2A 2.349(3) 8_585 ? O16 Fe 2.017(2) 1_665 ? O16 Na3 2.444(3) 1_665 ? O17 P5AA 1.512(4) 2_774 ? O17 Na7 2.384(3) 2_774 ? O17 Na7 2.384(3) 7_865 ? O22 Na4A 2.477(3) 8_575 ? O22 Na1A 2.527(3) 8_575 ? O13 Fe1A 2.033(2) 2_764 ? O26 Fe0A 2.023(2) 1_655 ? O26 Na1 2.451(3) 5_766 ? O23 Na5A 2.258(4) 5_776 ? O23 Na2A 2.519(3) 8_575 ? O23 Na4A 2.407(3) 3_466 ? O23 Na4A 2.407(3) 6_557 ? O29 P4AA 1.523(4) 2_764 ? O29 Na3A 2.351(3) 8_565 ? O29 Na4A 2.842(3) 5_866 ? O29 Na4A 2.842(3) 4_846 ? O21 Fe0A 1.9987(15) 4_656 ? O18 Na0A 2.540(3) 8_565 ? O18 Na0A 2.540(3) 1_565 ? O18 Na3A 2.607(3) 8_575 ? O11 Na4A 2.496(3) 1_445 ? O11 Na4A 2.496(3) 8_475 ? O11 Na1A 2.575(3) 8_475 ? O11 Na1A 2.575(3) 1_445 ? O20 Na1 2.923(3) 5_666 ? O20 Na1A 2.457(3) 8_475 ? O10 Na0A 2.776(4) 8_565 ? O10 Na0A 2.776(4) 1_565 ? O10 Na1A 2.337(3) 8_575 ? O27 P1AA 1.513(4) 5_766 ? O27 Na3A 2.388(3) 8_575 ? O27 Na4A 2.772(3) 5_876 ? O27 Na4A 2.772(3) 4_846 ? 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 Na5A Fe1A Na3A 124.60(6) 2_775 2_765 ? Na2 Fe1A Na5A 100.08(6) 2_765 2_775 ? Na2 Fe1A Na3A 58.61(4) 2_765 2_765 ? Na2 Fe1A Na 177.32(4) 2_765 . ? Na Fe1A Na5A 80.02(6) . 2_775 ? Na Fe1A Na3A 123.52(5) . 2_765 ? O0AA Fe1A Na5A 140.98(10) 2_765 2_775 ? O0AA Fe1A Na2 47.02(9) 2_765 2_765 ? O0AA Fe1A Na3A 62.05(9) 2_765 2_765 ? O0AA Fe1A Na 131.77(10) 2_765 . ? O8AA Fe1A Na5A 41.90(11) . 2_775 ? O8AA Fe1A Na2 135.51(11) . 2_765 ? O8AA Fe1A Na3A 117.34(11) . 2_765 ? O8AA Fe1A Na 45.79(11) . . ? O8AA Fe1A O0AA 177.07(14) . 2_765 ? O8AA Fe1A O2AA 93.47(13) . . ? O8AA Fe1A O3AA 91.02(13) . 7_856 ? O8AA Fe1A O25 87.85(13) . 8_575 ? O8AA Fe1A O13 94.91(13) . 2_765 ? O2AA Fe1A Na5A 133.58(8) . 2_775 ? O2AA Fe1A Na2 110.78(9) . 2_765 ? O2AA Fe1A Na3A 55.64(8) . 2_765 ? O2AA Fe1A Na 70.70(9) . . ? O2AA Fe1A O0AA 83.87(12) . 2_765 ? O2AA Fe1A O3AA 174.92(11) . 7_856 ? O2AA Fe1A O25 88.97(10) . 8_575 ? O2AA Fe1A O13 90.28(10) . 2_765 ? O3AA Fe1A Na5A 50.30(8) 7_856 2_775 ? O3AA Fe1A Na2 64.22(8) 7_856 2_765 ? O3AA Fe1A Na3A 119.96(8) 7_856 2_765 ? O3AA Fe1A Na 114.25(9) 7_856 . ? O3AA Fe1A O0AA 91.69(12) 7_856 2_765 ? O3AA Fe1A O25 93.58(10) 7_856 8_575 ? O3AA Fe1A O13 86.96(10) 7_856 2_765 ? O25 Fe1A Na5A 98.98(9) 8_575 2_775 ? O25 Fe1A Na2 127.63(8) 8_575 2_765 ? O25 Fe1A Na3A 135.47(8) 8_575 2_765 ? O25 Fe1A Na 49.83(8) 8_575 . ? O25 Fe1A O0AA 90.89(12) 8_575 2_765 ? O13 Fe1A Na5A 83.49(9) 2_765 2_775 ? O13 Fe1A Na2 50.27(8) 2_765 2_765 ? O13 Fe1A Na3A 42.41(7) 2_765 2_765 ? O13 Fe1A Na 132.30(8) 2_765 . ? O13 Fe1A O0AA 86.33(12) 2_765 2_765 ? O13 Fe1A O25 177.18(11) 2_765 8_575 ? Na1 Fe0A Na1 179.999(1) . 5_666 ? O26 Fe0A Na1 129.29(8) 5_766 5_666 ? O26 Fe0A Na1 50.71(8) 1_455 5_666 ? O26 Fe0A Na1 129.29(8) 1_455 . ? O26 Fe0A Na1 50.71(8) 5_766 . ? O26 Fe0A O26 180.000(1) 5_766 1_455 ? O21 Fe0A Na1 132.54(10) . 5_666 ? O21 Fe0A Na1 47.46(10) 5_666 5_666 ? O21 Fe0A Na1 47.46(10) . . ? O21 Fe0A Na1 132.54(10) 5_666 . ? O21 Fe0A O26 93.34(12) 5_666 5_766 ? O21 Fe0A O26 86.66(12) . 5_766 ? O21 Fe0A O26 86.66(12) 5_666 1_455 ? O21 Fe0A O26 93.34(12) . 1_455 ? O21 Fe0A O21 179.997(1) . 5_666 ? O20 Fe0A Na1 64.40(8) 5_666 . ? O20 Fe0A Na1 115.60(8) . . ? O20 Fe0A Na1 64.40(8) . 5_666 ? O20 Fe0A Na1 115.60(8) 5_666 5_666 ? O20 Fe0A O26 87.45(10) 5_666 5_766 ? O20 Fe0A O26 92.55(10) . 5_766 ? O20 Fe0A O26 92.55(10) 5_666 1_455 ? O20 Fe0A O26 87.45(10) . 1_455 ? O20 Fe0A O21 92.53(12) . 5_666 ? O20 Fe0A O21 87.47(12) 5_666 5_666 ? O20 Fe0A O21 87.48(12) . . ? O20 Fe0A O21 92.52(12) 5_666 . ? O20 Fe0A O20 180.00(13) . 5_666 ? Na3 Fe Na3 180.0 . 5_556 ? O4AA Fe Na3 136.68(10) 5_556 . ? O4AA Fe Na3 43.32(10) . . ? O4AA Fe Na3 136.68(10) . 5_556 ? O4AA Fe Na3 43.32(10) 5_556 5_556 ? O4AA Fe O4AA 179.997(1) 5_556 . ? O4AA Fe O16 91.20(12) 5_556 1_445 ? O4AA Fe O16 91.20(12) . 5_666 ? O4AA Fe O16 88.80(12) . 1_445 ? O4AA Fe O16 88.80(12) 5_556 5_666 ? O6AA Fe Na3 99.14(10) . . ? O6AA Fe Na3 80.86(10) . 5_556 ? O6AA Fe Na3 80.86(10) 5_556 . ? O6AA Fe Na3 99.14(10) 5_556 5_556 ? O6AA Fe O4AA 95.10(12) 5_556 . ? O6AA Fe O4AA 95.10(12) . 5_556 ? O6AA Fe O4AA 84.90(12) . . ? O6AA Fe O4AA 84.90(12) 5_556 5_556 ? O6AA Fe O6AA 179.999(1) 5_556 . ? O6AA Fe O16 88.22(12) . 5_666 ? O6AA Fe O16 88.22(12) 5_556 1_445 ? O6AA Fe O16 91.78(12) 5_556 5_666 ? O6AA Fe O16 91.78(12) . 1_445 ? O16 Fe Na3 132.10(8) 1_445 5_556 ? O16 Fe Na3 132.10(8) 5_666 . ? O16 Fe Na3 47.90(8) 5_666 5_556 ? O16 Fe Na3 47.90(8) 1_445 . ? O16 Fe O16 180.000(1) 1_445 5_666 ? Na0A P3AA Na0A 64.87(7) 5_766 4_766 ? Na0A P3AA Na2A 115.67(6) 4_766 . ? Na0A P3AA Na2A 82.35(5) 5_766 . ? Na0A P3AA Na2A 115.67(6) 5_766 8_585 ? Na0A P3AA Na2A 82.35(5) 4_766 8_585 ? Na7 P3AA Na0A 68.65(5) 8_585 4_766 ? Na7 P3AA Na0A 104.74(6) . 4_766 ? Na7 P3AA Na0A 104.74(6) 8_585 5_766 ? Na7 P3AA Na0A 68.65(5) . 5_766 ? Na7 P3AA Na7 70.41(6) 8_585 . ? Na7 P3AA Na2A 112.56(4) 8_585 8_585 ? Na7 P3AA Na2A 112.56(4) . . ? Na7 P3AA Na2A 172.90(6) . 8_585 ? Na7 P3AA Na2A 172.90(6) 8_585 . ? Na2A P3AA Na2A 63.73(6) 8_585 . ? O24 P3AA Na0A 46.62(10) . 5_766 ? O24 P3AA Na0A 46.62(10) . 4_766 ? O24 P3AA Na7 58.25(11) . . ? O24 P3AA Na7 58.25(11) . 8_585 ? O24 P3AA Na2A 128.85(11) . . ? O24 P3AA Na2A 128.85(11) . 8_585 ? O24 P3AA O25 107.88(13) . . ? O24 P3AA O25 107.88(13) . 8_585 ? O24 P3AA O15 110.9(2) . . ? O25 P3AA Na0A 90.13(10) 8_585 4_766 ? O25 P3AA Na0A 152.42(11) . 4_766 ? O25 P3AA Na0A 90.13(10) . 5_766 ? O25 P3AA Na0A 152.42(11) 8_585 5_766 ? O25 P3AA Na7 109.84(11) 8_585 . ? O25 P3AA Na7 52.34(10) . . ? O25 P3AA Na7 52.34(10) 8_585 8_585 ? O25 P3AA Na7 109.83(11) . 8_585 ? O25 P3AA Na2A 69.19(10) 8_585 8_585 ? O25 P3AA Na2A 120.99(12) . 8_585 ? O25 P3AA Na2A 69.19(10) . . ? O25 P3AA Na2A 120.99(12) 8_585 . ? O25 P3AA O25 111.0(2) 8_585 . ? O15 P3AA Na0A 77.66(13) . 5_766 ? O15 P3AA Na0A 77.66(13) . 4_766 ? O15 P3AA Na7 140.49(7) . 8_585 ? O15 P3AA Na7 140.49(7) . . ? O15 P3AA Na2A 40.68(9) . . ? O15 P3AA Na2A 40.68(9) . 8_585 ? O15 P3AA O25 109.59(13) . . ? O15 P3AA O25 109.59(13) . 8_585 ? Na7 P4 Na7 64.15(6) . 8_585 ? Na7 P4 Na4A 84.27(5) . . ? Na7 P4 Na4A 84.27(5) 8_585 8_585 ? Na7 P4 Na4A 117.50(5) 8_585 . ? Na7 P4 Na4A 117.49(5) . 8_585 ? Na7 P4 Na3 58.28(4) . 1_665 ? Na7 P4 Na3 58.28(4) 8_585 1_665 ? Na2A P4 Na7 177.86(5) 3_576 . ? Na2A P4 Na7 113.72(4) 6_657 . ? Na2A P4 Na7 177.86(5) 6_657 8_585 ? Na2A P4 Na7 113.72(4) 3_576 8_585 ? Na2A P4 Na2A 68.42(7) 6_657 3_576 ? Na2A P4 Na4A 96.88(6) 6_657 8_585 ? Na2A P4 Na4A 61.65(4) 6_657 . ? Na2A P4 Na4A 61.66(5) 3_576 8_585 ? Na2A P4 Na4A 96.88(6) 3_576 . ? Na2A P4 Na3 120.81(5) 3_576 1_665 ? Na2A P4 Na3 120.81(5) 6_657 1_665 ? Na4A P4 Na4A 63.84(6) . 8_585 ? Na4A P4 Na3 59.22(4) . 1_665 ? Na4A P4 Na3 59.22(4) 8_585 1_665 ? O6 P4 Na7 37.67(7) . 8_585 ? O6 P4 Na7 37.67(8) . . ? O6 P4 Na2A 140.55(8) . 3_576 ? O6 P4 Na2A 140.55(8) . 6_657 ? O6 P4 Na4A 84.62(13) . 8_585 ? O6 P4 Na4A 84.62(13) . . ? O6 P4 Na3 30.74(14) . 1_665 ? O6 P4 O7 112.2(2) . . ? O6 P4 O3AA 111.28(13) . 2_775 ? O6 P4 O3AA 111.28(13) . 7_866 ? O7 P4 Na7 125.35(12) . 8_585 ? O7 P4 Na7 125.35(12) . . ? O7 P4 Na2A 55.57(11) . 3_576 ? O7 P4 Na2A 55.57(11) . 6_657 ? O7 P4 Na4A 41.76(9) . . ? O7 P4 Na4A 41.76(9) . 8_585 ? O7 P4 Na3 81.41(15) . 1_665 ? O7 P4 O3AA 107.60(13) . 2_775 ? O7 P4 O3AA 107.60(13) . 7_866 ? O3AA P4 Na7 124.74(11) 2_775 8_585 ? O3AA P4 Na7 73.62(10) 2_775 . ? O3AA P4 Na7 124.74(11) 7_866 . ? O3AA P4 Na7 73.62(10) 7_866 8_585 ? O3AA P4 Na2A 53.79(10) 2_775 6_657 ? O3AA P4 Na2A 108.13(11) 7_866 6_657 ? O3AA P4 Na2A 53.79(10) 7_866 3_576 ? O3AA P4 Na2A 108.13(11) 2_775 3_576 ? O3AA P4 Na4A 149.11(11) 2_775 8_585 ? O3AA P4 Na4A 90.57(10) 2_775 . ? O3AA P4 Na4A 149.11(11) 7_866 . ? O3AA P4 Na4A 90.57(10) 7_866 8_585 ? O3AA P4 Na3 123.66(10) 2_775 1_665 ? O3AA P4 Na3 123.66(10) 7_866 1_665 ? O3AA P4 O3AA 106.7(2) 2_775 7_866 ? Na0A P0AA Na0A 68.10(7) 8_565 1_565 ? Na0A P0AA Na3A 78.68(5) 1_565 8_575 ? Na0A P0AA Na3A 114.83(6) 8_565 8_575 ? Na0A P0AA Na3A 78.68(5) 8_565 . ? Na0A P0AA Na3A 114.83(6) 1_565 . ? Na0A P0AA Na1A 69.30(5) 1_565 . ? Na0A P0AA Na1A 69.30(5) 8_565 8_575 ? Na0A P0AA Na1A 100.95(5) 8_565 . ? Na0A P0AA Na1A 100.95(6) 1_565 8_575 ? Na3A P0AA Na3A 66.77(7) . 8_575 ? Na3A P0AA Na1A 175.02(5) 8_575 8_575 ? Na3A P0AA Na1A 175.02(5) . . ? Na3A P0AA Na1A 117.53(4) 8_575 . ? Na3A P0AA Na1A 117.53(4) . 8_575 ? Na1A P0AA Na1A 58.05(6) 8_575 . ? O26 P0AA Na0A 90.27(10) . 8_565 ? O26 P0AA Na0A 90.27(10) 8_575 1_565 ? O26 P0AA Na0A 157.74(11) 8_575 8_565 ? O26 P0AA Na0A 157.74(11) . 1_565 ? O26 P0AA Na3A 107.40(11) 8_575 . ? O26 P0AA Na3A 52.71(10) . . ? O26 P0AA Na3A 107.40(11) . 8_575 ? O26 P0AA Na3A 52.71(10) 8_575 8_575 ? O26 P0AA Na1A 74.82(10) 8_575 . ? O26 P0AA Na1A 122.42(11) 8_575 8_575 ? O26 P0AA Na1A 122.42(11) . . ? O26 P0AA Na1A 74.82(10) . 8_575 ? O26 P0AA O26 110.62(19) . 8_575 ? O18 P0AA Na0A 57.22(11) . 8_565 ? O18 P0AA Na0A 57.22(11) . 1_565 ? O18 P0AA Na3A 57.62(11) . . ? O18 P0AA Na3A 57.62(11) . 8_575 ? O18 P0AA Na1A 126.38(12) . 8_575 ? O18 P0AA Na1A 126.38(12) . . ? O18 P0AA O26 107.19(13) . 8_575 ? O18 P0AA O26 107.19(13) . . ? O10 P0AA Na0A 66.08(12) . 1_565 ? O10 P0AA Na0A 66.08(12) . 8_565 ? O10 P0AA Na3A 141.69(8) . 8_575 ? O10 P0AA Na3A 141.69(8) . . ? O10 P0AA Na1A 36.30(9) . 8_575 ? O10 P0AA Na1A 36.30(9) . . ? O10 P0AA O26 110.90(13) . 8_575 ? O10 P0AA O26 110.90(13) . . ? O10 P0AA O18 109.9(2) . . ? Na2A P4AA Na2A 74.71(7) . 8_575 ? Na2A P4AA Na3A 176.53(6) 8_575 7_866 ? Na2A P4AA Na3A 106.17(5) 8_575 2_765 ? Na2A P4AA Na3A 176.53(6) . 2_765 ? Na2A P4AA Na3A 106.17(5) . 7_866 ? Na3A P4AA Na3A 72.75(7) 7_866 2_765 ? Na4A P4AA Na2A 111.02(6) 3_466 . ? Na4A P4AA Na2A 67.91(5) 6_557 . ? Na4A P4AA Na2A 111.02(6) 6_557 8_575 ? Na4A P4AA Na2A 67.91(5) 3_466 8_575 ? Na4A P4AA Na3A 72.31(5) 6_557 7_866 ? Na4A P4AA Na3A 114.47(6) 3_466 7_866 ? Na4A P4AA Na3A 114.47(6) 6_557 2_765 ? Na4A P4AA Na3A 72.31(5) 3_466 2_765 ? Na4A P4AA Na4A 74.53(8) 3_466 6_557 ? O2AA P4AA Na2A 112.73(12) . . ? O2AA P4AA Na2A 52.32(10) . 8_575 ? O2AA P4AA Na2A 52.32(10) 8_575 . ? O2AA P4AA Na2A 112.73(12) 8_575 8_575 ? O2AA P4AA Na3A 66.04(11) 8_575 7_866 ? O2AA P4AA Na3A 124.68(11) 8_575 2_765 ? O2AA P4AA Na3A 66.03(11) . 2_765 ? O2AA P4AA Na3A 124.68(11) . 7_866 ? O2AA P4AA Na4A 86.52(10) 8_575 6_557 ? O2AA P4AA Na4A 159.24(12) . 6_557 ? O2AA P4AA Na4A 159.24(11) 8_575 3_466 ? O2AA P4AA Na4A 86.52(10) . 3_466 ? O2AA P4AA O2AA 110.6(2) . 8_575 ? O23 P4AA Na2A 56.16(10) . . ? O23 P4AA Na2A 56.16(10) . 8_575 ? O23 P4AA Na3A 127.18(11) . 2_765 ? O23 P4AA Na3A 127.18(11) . 7_866 ? O23 P4AA Na4A 54.87(10) . 6_557 ? O23 P4AA Na4A 54.87(11) . 3_466 ? O23 P4AA O2AA 107.12(13) . . ? O23 P4AA O2AA 107.12(13) . 8_575 ? O29 P4AA Na2A 136.29(9) 2_765 8_575 ? O29 P4AA Na2A 136.29(8) 2_765 . ? O29 P4AA Na3A 45.09(9) 2_765 7_866 ? O29 P4AA Na3A 45.08(9) 2_765 2_765 ? O29 P4AA Na4A 71.28(12) 2_765 6_557 ? O29 P4AA Na4A 71.28(12) 2_765 3_466 ? O29 P4AA O2AA 110.98(13) 2_765 8_575 ? O29 P4AA O2AA 110.97(13) 2_765 . ? O29 P4AA O23 109.9(2) 2_765 . ? Na3A P1AA Na1 125.48(5) 4_746 5_666 ? Na3A P1AA Na1 125.48(5) 5_766 5_666 ? Na3A P1AA Na3A 59.27(6) 5_766 4_746 ? Na4A P1AA Na1 129.92(5) 8_475 5_666 ? Na4A P1AA Na1 129.92(5) 1_445 5_666 ? Na4A P1AA Na3A 103.34(6) 1_445 5_766 ? Na4A P1AA Na3A 103.35(6) 8_475 4_746 ? Na4A P1AA Na3A 68.26(5) 8_475 5_766 ? Na4A P1AA Na3A 68.26(5) 1_445 4_746 ? Na4A P1AA Na4A 74.87(7) 1_445 8_475 ? Na4A P1AA Na1A 113.77(6) 8_475 1_445 ? Na4A P1AA Na1A 69.14(5) 1_445 1_445 ? Na4A P1AA Na1A 113.77(6) 1_445 8_475 ? Na4A P1AA Na1A 69.14(5) 8_475 8_475 ? Na1A P1AA Na1 61.07(4) 8_475 5_666 ? Na1A P1AA Na1 61.07(4) 1_445 5_666 ? Na1A P1AA Na3A 170.52(5) 8_475 4_746 ? Na1A P1AA Na3A 111.65(4) 8_475 5_766 ? Na1A P1AA Na3A 111.65(4) 1_445 4_746 ? Na1A P1AA Na3A 170.52(5) 1_445 5_766 ? Na1A P1AA Na1A 77.26(7) 8_475 1_445 ? O11 P1AA Na1 96.19(15) . 5_666 ? O11 P1AA Na3A 125.50(12) . 4_746 ? O11 P1AA Na3A 125.50(12) . 5_766 ? O11 P1AA Na4A 57.71(11) . 8_475 ? O11 P1AA Na4A 57.71(11) . 1_445 ? O11 P1AA Na1A 56.10(10) . 8_475 ? O11 P1AA Na1A 56.10(10) . 1_445 ? O20 P1AA Na1 57.17(10) 8_565 5_666 ? O20 P1AA Na1 57.17(10) . 5_666 ? O20 P1AA Na3A 76.27(10) . 5_766 ? O20 P1AA Na3A 124.05(11) 8_565 5_766 ? O20 P1AA Na3A 124.05(11) . 4_746 ? O20 P1AA Na3A 76.27(10) 8_565 4_746 ? O20 P1AA Na4A 161.58(11) 8_565 8_475 ? O20 P1AA Na4A 88.21(10) . 8_475 ? O20 P1AA Na4A 88.21(10) 8_565 1_445 ? O20 P1AA Na4A 161.58(11) . 1_445 ? O20 P1AA Na1A 112.73(12) 8_565 8_475 ? O20 P1AA Na1A 51.68(10) . 8_475 ? O20 P1AA Na1A 51.67(10) 8_565 1_445 ? O20 P1AA Na1A 112.74(12) . 1_445 ? O20 P1AA O11 107.10(13) . . ? O20 P1AA O11 107.10(13) 8_565 . ? O20 P1AA O20 107.4(2) 8_565 . ? O27 P1AA Na1 154.01(16) 5_766 5_666 ? O27 P1AA Na3A 36.37(8) 5_766 4_746 ? O27 P1AA Na3A 36.37(8) 5_766 5_766 ? O27 P1AA Na4A 68.17(12) 5_766 1_445 ? O27 P1AA Na4A 68.17(12) 5_766 8_475 ? O27 P1AA Na1A 134.71(8) 5_766 1_445 ? O27 P1AA Na1A 134.72(8) 5_766 8_475 ? O27 P1AA O11 109.8(2) 5_766 . ? O27 P1AA O20 112.55(13) 5_766 . ? O27 P1AA O20 112.55(13) 5_766 8_565 ? Na7 P5AA Na7 66.68(6) . 8_575 ? Na7 P5AA Na4A 122.49(6) . 8_575 ? Na7 P5AA Na4A 87.09(5) 8_575 8_575 ? Na7 P5AA Na4A 122.49(6) 8_575 . ? Na7 P5AA Na4A 87.09(5) . . ? Na4A P5AA Na4A 64.67(6) . 8_575 ? Na1A P5AA Na7 114.53(4) . . ? Na1A P5AA Na7 173.18(6) 8_575 . ? Na1A P5AA Na7 114.53(4) 8_575 8_575 ? Na1A P5AA Na7 173.18(6) . 8_575 ? Na1A P5AA Na4A 97.35(6) . 8_575 ? Na1A P5AA Na4A 64.26(4) 8_575 8_575 ? Na1A P5AA Na4A 64.26(4) . . ? Na1A P5AA Na4A 97.35(6) 8_575 . ? Na1A P5AA Na1A 63.42(6) . 8_575 ? O16 P5AA Na7 120.81(12) . 8_575 ? O16 P5AA Na7 67.15(12) 8_575 8_575 ? O16 P5AA Na7 67.15(12) . . ? O16 P5AA Na7 120.81(12) 8_575 . ? O16 P5AA Na4A 150.18(12) . 8_575 ? O16 P5AA Na4A 89.50(10) 8_575 8_575 ? O16 P5AA Na4A 89.50(10) . . ? O16 P5AA Na4A 150.18(12) 8_575 . ? O16 P5AA Na1A 56.00(11) 8_575 8_575 ? O16 P5AA Na1A 107.58(13) . 8_575 ? O16 P5AA Na1A 107.58(13) 8_575 . ? O16 P5AA Na1A 56.00(11) . . ? O16 P5AA O16 110.0(2) . 8_575 ? O17 P5AA Na7 43.08(10) 2_775 8_575 ? O17 P5AA Na7 43.08(10) 2_775 . ? O17 P5AA Na4A 82.50(14) 2_775 8_575 ? O17 P5AA Na4A 82.50(14) 2_775 . ? O17 P5AA Na1A 142.49(9) 2_775 . ? O17 P5AA Na1A 142.48(9) 2_775 8_575 ? O17 P5AA O16 109.93(14) 2_775 . ? O17 P5AA O16 109.93(14) 2_775 8_575 ? O17 P5AA O22 113.4(2) 2_775 . ? O22 P5AA Na7 131.49(11) . . ? O22 P5AA Na7 131.49(11) . 8_575 ? O22 P5AA Na4A 44.43(10) . 8_575 ? O22 P5AA Na4A 44.43(10) . . ? O22 P5AA Na1A 53.31(12) . . ? O22 P5AA Na1A 53.31(12) . 8_575 ? O22 P5AA O16 106.71(14) . 8_575 ? O22 P5AA O16 106.71(14) . . ? Na0A P Na0A 77.50(8) 4_756 5_766 ? Na0A P Na7 69.77(5) 5_766 . ? Na0A P Na7 111.39(6) 4_756 . ? Na0A P Na7 111.39(6) 5_766 8_575 ? Na0A P Na7 69.77(5) 4_756 8_575 ? Na0A P Na1A 70.88(5) 4_756 4_746 ? Na0A P Na1A 114.22(6) 5_766 4_746 ? Na0A P Na1A 70.88(5) 5_766 5_776 ? Na0A P Na1A 114.22(6) 4_756 5_776 ? Na7 P Na7 69.17(6) . 8_575 ? Na7 P Na1A 175.95(6) 8_575 5_776 ? Na7 P Na1A 109.17(4) . 5_776 ? Na7 P Na1A 109.17(4) 8_575 4_746 ? Na7 P Na1A 175.95(6) . 4_746 ? Na1A P Na1A 72.22(6) 5_776 4_746 ? O5AA P Na0A 68.79(12) . 4_756 ? O5AA P Na0A 68.79(12) . 5_766 ? O5AA P Na7 137.30(10) . . ? O5AA P Na7 137.30(10) . 8_575 ? O5AA P Na1A 46.41(10) . 4_746 ? O5AA P Na1A 46.41(10) . 5_776 ? O5AA P O6AA 110.13(15) . 1_665 ? O5AA P O6AA 110.13(15) . 8_665 ? O5AA P O1AA 110.0(2) . . ? O6AA P Na0A 85.98(11) 1_665 5_766 ? O6AA P Na0A 162.67(12) 8_665 5_766 ? O6AA P Na0A 162.66(12) 1_665 4_756 ? O6AA P Na0A 85.98(11) 8_665 4_756 ? O6AA P Na7 112.49(13) 1_665 8_575 ? O6AA P Na7 56.85(13) 8_665 8_575 ? O6AA P Na7 112.49(13) 8_665 . ? O6AA P Na7 56.85(13) 1_665 . ? O6AA P Na1A 121.75(14) 8_665 5_776 ? O6AA P Na1A 63.97(12) 1_665 5_776 ? O6AA P Na1A 121.75(14) 1_665 4_746 ? O6AA P Na1A 63.97(12) 8_665 4_746 ? O6AA P O6AA 109.9(2) 8_665 1_665 ? O1AA P Na0A 58.30(11) . 5_766 ? O1AA P Na0A 58.30(11) . 4_756 ? O1AA P Na7 53.12(11) . 8_575 ? O1AA P Na7 53.12(11) . . ? O1AA P Na1A 129.15(11) . 4_746 ? O1AA P Na1A 129.15(11) . 5_776 ? O1AA P O6AA 108.33(15) . 1_665 ? O1AA P O6AA 108.33(15) . 8_665 ? Na0A P2AA Na0A 69.73(6) . 8_565 ? Na0A P2AA Na2A 78.13(5) 8_565 4_746 ? Na0A P2AA Na2A 113.94(5) . 4_746 ? Na0A P2AA Na2A 113.94(5) 8_565 5_766 ? Na0A P2AA Na2A 78.13(5) . 5_766 ? Na2A P2AA Na2A 64.68(6) 5_766 4_746 ? Na3A P2AA Na0A 111.13(6) . . ? Na3A P2AA Na0A 72.53(4) 8_565 . ? Na3A P2AA Na0A 111.13(6) 8_565 8_565 ? Na3A P2AA Na0A 72.53(4) . 8_565 ? Na3A P2AA Na2A 170.49(6) 8_565 4_746 ? Na3A P2AA Na2A 170.49(6) . 5_766 ? Na3A P2AA Na2A 111.59(4) 8_565 5_766 ? Na3A P2AA Na2A 111.59(4) . 4_746 ? Na3A P2AA Na3A 70.61(6) . 8_565 ? O31 P2AA Na0A 81.26(15) . . ? O31 P2AA Na0A 81.26(15) . 8_565 ? O31 P2AA Na2A 36.96(8) . 4_746 ? O31 P2AA Na2A 36.96(8) . 5_766 ? O31 P2AA Na3A 143.90(5) . 8_565 ? O31 P2AA Na3A 143.90(5) . . ? O31 P2AA O33 111.5(2) . . ? O31 P2AA O13 110.05(13) . . ? O31 P2AA O13 110.05(13) . 8_565 ? O33 P2AA Na0A 46.03(10) . 8_565 ? O33 P2AA Na0A 46.03(10) . . ? O33 P2AA Na2A 123.28(13) . 5_766 ? O33 P2AA Na2A 123.28(13) . 4_746 ? O33 P2AA Na3A 66.22(13) . 8_565 ? O33 P2AA Na3A 66.22(13) . . ? O33 P2AA O13 107.82(13) . 8_565 ? O33 P2AA O13 107.82(13) . . ? O13 P2AA Na0A 153.28(11) . . ? O13 P2AA Na0A 153.28(11) 8_565 8_565 ? O13 P2AA Na0A 87.68(10) 8_565 . ? O13 P2AA Na0A 87.68(10) . 8_565 ? O13 P2AA Na2A 73.12(10) 8_565 5_766 ? O13 P2AA Na2A 125.68(11) . 5_766 ? O13 P2AA Na2A 125.68(11) 8_565 4_746 ? O13 P2AA Na2A 73.12(10) . 4_746 ? O13 P2AA Na3A 45.92(10) . . ? O13 P2AA Na3A 104.37(11) 8_565 . ? O13 P2AA Na3A 104.37(11) . 8_565 ? O13 P2AA Na3A 45.91(10) 8_565 8_565 ? O13 P2AA O13 109.51(19) 8_565 . ? Fe0A Na1 Fe0A 68.69(4) 4_656 . ? Fe0A Na1 Na0A 110.10(3) . 4_756 ? Fe0A Na1 Na0A 178.70(6) 4_656 4_756 ? Fe0A Na1 Na0A 178.70(6) . 5_766 ? Fe0A Na1 Na0A 110.09(3) 4_656 5_766 ? Fe0A Na1 Na1A 74.32(4) 4_656 5_776 ? Fe0A Na1 Na1A 112.45(7) . 5_776 ? Na0A Na1 Na0A 71.11(8) 4_756 5_766 ? Na0A Na1 Na1A 67.39(5) 5_766 5_776 ? Na0A Na1 Na1A 106.72(7) 4_756 5_776 ? O5AA Na1 Fe0A 121.91(10) . . ? O5AA Na1 Fe0A 121.91(10) . 4_656 ? O5AA Na1 Na0A 59.03(9) . 5_766 ? O5AA Na1 Na0A 59.03(9) . 4_756 ? O5AA Na1 Na1A 48.09(8) . 5_776 ? O5AA Na1 O33 88.51(16) . 5_766 ? O5AA Na1 O26 109.21(7) . 4_756 ? O5AA Na1 O26 109.21(7) . 5_766 ? O5AA Na1 O21 149.66(17) . . ? O5AA Na1 O20 87.39(12) . 5_666 ? O5AA Na1 O20 87.39(12) . 4_656 ? O33 Na1 Fe0A 130.37(9) 5_766 4_656 ? O33 Na1 Fe0A 130.37(9) 5_766 . ? O33 Na1 Na0A 49.97(8) 5_766 5_766 ? O33 Na1 Na0A 49.97(8) 5_766 4_756 ? O33 Na1 Na1A 116.83(10) 5_766 5_776 ? O33 Na1 O26 96.45(9) 5_766 5_766 ? O33 Na1 O26 96.45(9) 5_766 4_756 ? O33 Na1 O21 121.83(16) 5_766 . ? O33 Na1 O20 154.46(6) 5_766 4_656 ? O33 Na1 O20 154.46(6) 5_766 5_666 ? O26 Na1 Fe0A 39.70(6) 4_756 4_656 ? O26 Na1 Fe0A 39.70(6) 5_766 . ? O26 Na1 Fe0A 106.84(8) 5_766 4_656 ? O26 Na1 Fe0A 106.84(8) 4_756 . ? O26 Na1 Na0A 141.31(10) 4_756 4_756 ? O26 Na1 Na0A 71.88(7) 5_766 4_756 ? O26 Na1 Na0A 71.88(7) 4_756 5_766 ? O26 Na1 Na0A 141.31(9) 5_766 5_766 ? O26 Na1 Na1A 135.53(10) 5_766 5_776 ? O26 Na1 Na1A 68.20(7) 4_756 5_776 ? O26 Na1 O26 139.63(14) 5_766 4_756 ? O26 Na1 O20 61.42(8) 4_756 4_656 ? O26 Na1 O20 61.42(8) 5_766 5_666 ? O26 Na1 O20 108.70(10) 4_756 5_666 ? O26 Na1 O20 108.70(10) 5_766 4_656 ? O21 Na1 Fe0A 39.05(4) . 4_656 ? O21 Na1 Fe0A 39.05(4) . . ? O21 Na1 Na0A 139.68(6) . 5_766 ? O21 Na1 Na0A 139.68(6) . 4_756 ? O21 Na1 Na1A 109.86(9) . 5_776 ? O21 Na1 O26 70.34(7) . 5_766 ? O21 Na1 O26 70.34(7) . 4_756 ? O21 Na1 O20 65.35(10) . 5_666 ? O21 Na1 O20 65.35(10) . 4_656 ? O20 Na1 Fe0A 72.01(7) 5_666 4_656 ? O20 Na1 Fe0A 72.01(7) 4_656 . ? O20 Na1 Fe0A 37.89(5) 5_666 . ? O20 Na1 Fe0A 37.89(5) 4_656 4_656 ? O20 Na1 Na0A 142.51(9) 5_666 5_766 ? O20 Na1 Na0A 107.37(7) 5_666 4_756 ? O20 Na1 Na0A 107.36(7) 4_656 5_766 ? O20 Na1 Na0A 142.51(9) 4_656 4_756 ? O20 Na1 Na1A 45.56(6) 4_656 5_776 ? O20 Na1 Na1A 77.98(7) 5_666 5_776 ? O20 Na1 O20 50.38(11) 5_666 4_656 ? Fe1A Na5A Fe1A 65.65(6) 7_865 2_774 ? Fe1A Na5A Na7 66.43(5) 7_865 2_774 ? Fe1A Na5A Na7 99.03(8) 2_774 2_774 ? Fe1A Na5A Na4A 115.80(3) 7_865 2_774 ? Fe1A Na5A Na4A 178.46(6) 7_865 7_865 ? Fe1A Na5A Na4A 178.46(6) 2_774 2_774 ? Fe1A Na5A Na4A 115.80(3) 2_774 7_865 ? Na2A Na5A Fe1A 118.40(10) 5_776 2_774 ? Na2A Na5A Fe1A 79.60(6) 5_776 7_865 ? Na2A Na5A Fe1A 79.60(6) 4_756 2_774 ? Na2A Na5A Fe1A 118.40(10) 4_756 7_865 ? Na2A Na5A Na7 173.18(8) 4_756 2_774 ? Na2A Na5A Na7 111.80(4) 5_776 2_774 ? Na2A Na5A Na2A 74.48(9) 5_776 4_756 ? Na2A Na5A Na4A 99.12(8) 5_776 7_865 ? Na2A Na5A Na4A 61.86(6) 4_756 7_865 ? Na2A Na5A Na4A 61.86(6) 5_776 2_774 ? Na2A Na5A Na4A 99.12(8) 4_756 2_774 ? Na4A Na5A Na7 113.45(9) 7_865 2_774 ? Na4A Na5A Na7 82.15(6) 2_774 2_774 ? Na4A Na5A Na4A 62.74(7) 2_774 7_865 ? O8AA Na5A Fe1A 35.83(5) 2_774 2_774 ? O8AA Na5A Fe1A 35.83(5) 2_774 7_865 ? O8AA Na5A Na7 68.78(11) 2_774 2_774 ? O8AA Na5A Na2A 111.94(12) 2_774 5_776 ? O8AA Na5A Na2A 111.94(12) 2_774 4_756 ? O8AA Na5A Na4A 145.69(7) 2_774 2_774 ? O8AA Na5A Na4A 145.69(7) 2_774 7_865 ? O8AA Na5A O3AA 73.99(8) 2_774 . ? O8AA Na5A O3AA 73.99(8) 2_774 8_585 ? O8AA Na5A O17 96.17(18) 2_774 . ? O8AA Na5A O23 161.1(2) 2_774 5_776 ? O3AA Na5A Fe1A 104.13(10) . 2_774 ? O3AA Na5A Fe1A 39.04(6) 8_585 2_774 ? O3AA Na5A Fe1A 104.13(10) 8_585 7_865 ? O3AA Na5A Fe1A 39.04(6) . 7_865 ? O3AA Na5A Na7 64.33(8) . 2_774 ? O3AA Na5A Na7 122.27(11) 8_585 2_774 ? O3AA Na5A Na2A 122.49(12) 8_585 5_776 ? O3AA Na5A Na2A 52.95(7) . 5_776 ? O3AA Na5A Na2A 122.49(12) . 4_756 ? O3AA Na5A Na2A 52.95(7) 8_585 4_756 ? O3AA Na5A Na4A 139.44(10) 8_585 2_774 ? O3AA Na5A Na4A 139.44(10) . 7_865 ? O3AA Na5A Na4A 77.25(7) 8_585 7_865 ? O3AA Na5A Na4A 77.25(7) . 2_774 ? O3AA Na5A O3AA 140.65(16) . 8_585 ? O17 Na5A Fe1A 107.87(12) . 7_865 ? O17 Na5A Fe1A 107.87(12) . 2_774 ? O17 Na5A Na7 42.73(8) . 2_774 ? O17 Na5A Na2A 131.20(10) . 4_756 ? O17 Na5A Na2A 131.20(10) . 5_776 ? O17 Na5A Na4A 72.31(11) . 7_865 ? O17 Na5A Na4A 72.31(11) . 2_774 ? O17 Na5A O3AA 102.80(9) . 8_585 ? O17 Na5A O3AA 102.80(9) . . ? O17 Na5A O23 102.72(18) . 5_776 ? O23 Na5A Fe1A 134.07(10) 5_776 2_774 ? O23 Na5A Fe1A 134.07(10) 5_776 7_865 ? O23 Na5A Na7 126.47(12) 5_776 2_774 ? O23 Na5A Na2A 54.47(8) 5_776 4_756 ? O23 Na5A Na2A 54.47(8) 5_776 5_776 ? O23 Na5A Na4A 44.65(8) 5_776 2_774 ? O23 Na5A Na4A 44.65(8) 5_776 7_865 ? O23 Na5A O3AA 101.44(9) 5_776 . ? O23 Na5A O3AA 101.45(9) 5_776 8_585 ? P3AA Na0A P2AA 102.63(6) 5_766 . ? P3AA Na0A Na1 172.93(8) 5_766 5_766 ? P3AA Na0A Na 66.33(4) 5_766 5_766 ? P0AA Na0A P3AA 112.39(6) 1_545 5_766 ? P0AA Na0A P2AA 104.57(5) 1_545 . ? P0AA Na0A Na1 69.79(4) 1_545 5_766 ? P0AA Na0A Na 166.93(8) 1_545 5_766 ? P Na0A P3AA 111.82(6) 5_766 5_766 ? P Na0A P0AA 117.52(7) 5_766 1_545 ? P Na0A P2AA 106.29(6) 5_766 . ? P Na0A Na1 71.71(5) 5_766 5_766 ? P Na0A Na 73.57(6) 5_766 5_766 ? P2AA Na0A Na 64.11(6) . 5_766 ? Na1 Na0A P2AA 70.33(5) 5_766 . ? Na1 Na0A Na 109.92(6) 5_766 5_766 ? O5AA Na0A P3AA 141.43(10) 5_766 5_766 ? O5AA Na0A P0AA 93.89(8) 5_766 1_545 ? O5AA Na0A P 29.90(8) 5_766 5_766 ? O5AA Na0A P2AA 97.04(8) 5_766 . ? O5AA Na0A Na1 42.87(8) 5_766 5_766 ? O5AA Na0A Na 94.04(8) 5_766 5_766 ? O1AA Na0A P3AA 92.70(9) 5_766 5_766 ? O1AA Na0A P0AA 147.66(11) 5_766 1_545 ? O1AA Na0A P 30.47(9) 5_766 5_766 ? O1AA Na0A P2AA 88.55(9) 5_766 . ? O1AA Na0A Na1 87.85(9) 5_766 5_766 ? O1AA Na0A Na 43.11(9) 5_766 5_766 ? O1AA Na0A O5AA 54.72(11) 5_766 5_766 ? O1AA Na0A O10 124.94(13) 5_766 1_545 ? O24 Na0A P3AA 27.98(9) 5_766 5_766 ? O24 Na0A P0AA 98.72(9) 5_766 1_545 ? O24 Na0A P 100.28(9) 5_766 5_766 ? O24 Na0A P2AA 130.54(11) 5_766 . ? O24 Na0A Na1 158.99(12) 5_766 5_766 ? O24 Na0A Na 85.30(8) 5_766 5_766 ? O24 Na0A O5AA 124.40(13) 5_766 5_766 ? O24 Na0A O1AA 94.41(10) 5_766 5_766 ? O24 Na0A O33 156.24(15) 5_766 . ? O24 Na0A O18 91.39(10) 5_766 1_545 ? O24 Na0A O10 82.90(11) 5_766 1_545 ? O33 Na0A P3AA 128.33(12) . 5_766 ? O33 Na0A P0AA 96.09(10) . 1_545 ? O33 Na0A P 89.11(9) . 5_766 ? O33 Na0A P2AA 26.32(9) . . ? O33 Na0A Na1 44.76(10) . 5_766 ? O33 Na0A Na 76.44(11) . 5_766 ? O33 Na0A O5AA 72.67(11) . 5_766 ? O33 Na0A O1AA 82.64(11) . 5_766 ? O33 Na0A O18 92.06(11) . 1_545 ? O33 Na0A O10 118.11(12) . 1_545 ? O18 Na0A P3AA 92.44(8) 1_545 5_766 ? O18 Na0A P0AA 30.37(8) 1_545 1_545 ? O18 Na0A P 147.76(11) 1_545 5_766 ? O18 Na0A P2AA 87.70(8) 1_545 . ? O18 Na0A Na1 86.72(8) 1_545 5_766 ? O18 Na0A Na 137.79(11) 1_545 5_766 ? O18 Na0A O5AA 121.43(12) 1_545 5_766 ? O18 Na0A O1AA 174.20(11) 1_545 5_766 ? O18 Na0A O10 55.79(10) 1_545 1_545 ? O10 Na0A P3AA 106.56(8) 1_545 5_766 ? O10 Na0A P0AA 30.07(8) 1_545 1_545 ? O10 Na0A P 95.70(9) 1_545 5_766 ? O10 Na0A P2AA 133.31(9) 1_545 . ? O10 Na0A Na1 78.74(7) 1_545 5_766 ? O10 Na0A Na 162.37(10) 1_545 5_766 ? O10 Na0A O5AA 81.98(9) 1_545 5_766 ? P3AA Na7 P5AA 172.09(7) . . ? P3AA Na7 P 109.52(6) . . ? P3AA Na7 Na3 111.59(5) . 1_665 ? P3AA Na7 Na 69.00(4) . . ? P5AA Na7 Na3 66.12(4) . 1_665 ? P Na7 P5AA 78.01(4) . . ? P Na7 Na3 113.49(6) . 1_665 ? P Na7 Na 74.08(6) . . ? Na Na7 P5AA 111.95(5) . . ? Na Na7 Na3 170.73(8) . 1_665 ? O6 Na7 P3AA 79.10(9) . . ? O6 Na7 P5AA 95.09(9) . . ? O6 Na7 P 154.41(11) . . ? O6 Na7 Na3 42.85(10) . 1_665 ? O6 Na7 Na 130.60(11) . . ? O6 Na7 O6AA 125.45(12) . 1_665 ? O6 Na7 O1AA 173.37(13) . . ? O6 Na7 O24 85.40(10) . . ? O6 Na7 O25 85.90(12) . . ? O6 Na7 O16 84.93(11) . . ? O6 Na7 O17 100.35(12) . 2_775 ? O6AA Na7 P3AA 113.07(8) 1_665 . ? O6AA Na7 P5AA 74.65(7) 1_665 . ? O6AA Na7 P 28.98(6) 1_665 . ? O6AA Na7 Na3 86.51(8) 1_665 1_665 ? O6AA Na7 Na 101.85(9) 1_665 . ? O6AA Na7 O16 60.67(8) 1_665 . ? O1AA Na7 P3AA 94.27(9) . . ? O1AA Na7 P5AA 91.52(9) . . ? O1AA Na7 P 28.65(9) . . ? O1AA Na7 Na3 141.88(11) . 1_665 ? O1AA Na7 Na 45.44(10) . . ? O1AA Na7 O6AA 56.99(10) . 1_665 ? O1AA Na7 O24 88.75(10) . . ? O1AA Na7 O16 101.20(11) . . ? O24 Na7 P3AA 29.66(8) . . ? O24 Na7 P5AA 156.23(10) . . ? O24 Na7 P 91.32(8) . . ? O24 Na7 Na3 100.01(8) . 1_665 ? O24 Na7 Na 84.75(8) . . ? O24 Na7 O6AA 85.69(11) . 1_665 ? O24 Na7 O16 128.70(10) . . ? O25 Na7 P3AA 29.65(6) . . ? O25 Na7 P5AA 145.54(9) . . ? O25 Na7 P 113.78(8) . . ? O25 Na7 Na3 127.75(9) . 1_665 ? O25 Na7 Na 48.53(7) . . ? O25 Na7 O6AA 131.46(11) . 1_665 ? O25 Na7 O1AA 88.37(11) . . ? O25 Na7 O24 58.23(10) . . ? O25 Na7 O16 167.85(10) . . ? O16 Na7 P3AA 153.56(8) . . ? O16 Na7 P5AA 28.43(5) . . ? O16 Na7 P 77.39(6) . . ? O16 Na7 Na3 45.29(6) . 1_665 ? O16 Na7 Na 136.18(8) . . ? O17 Na7 P3AA 149.74(11) 2_775 . ? O17 Na7 P5AA 25.68(9) 2_775 . ? O17 Na7 P 84.14(10) 2_775 . ? O17 Na7 Na3 85.35(9) 2_775 1_665 ? O17 Na7 Na 90.31(9) 2_775 . ? O17 Na7 O6AA 92.11(12) 2_775 1_665 ? O17 Na7 O1AA 85.43(11) 2_775 . ? O17 Na7 O24 174.06(11) 2_775 . ? O17 Na7 O25 120.29(12) 2_775 . ? O17 Na7 O16 53.99(10) 2_775 . ? Fe1A Na2 Fe1A 70.72(4) 2_764 7_865 ? Fe1A Na2 Na2A 77.51(4) 7_865 5_776 ? Fe1A Na2 Na2A 114.07(7) 2_764 5_776 ? Fe1A Na2 Na2A 77.51(4) 2_764 4_746 ? Fe1A Na2 Na2A 114.07(7) 7_865 4_746 ? Fe1A Na2 Na3A 65.99(4) 7_865 8_575 ? Fe1A Na2 Na3A 101.00(6) 2_764 8_575 ? Na2A Na2 Na2A 65.25(7) 4_746 5_776 ? Na2A Na2 Na3A 178.29(6) 4_746 8_575 ? Na2A Na2 Na3A 116.28(4) 5_776 8_575 ? O0AA Na2 Fe1A 40.12(5) . 7_865 ? O0AA Na2 Fe1A 40.12(5) . 2_764 ? O0AA Na2 Na2A 113.58(10) . 5_776 ? O0AA Na2 Na2A 113.58(10) . 4_746 ? O0AA Na2 Na3A 65.27(9) . 8_575 ? O0AA Na2 O3AA 66.42(10) . 8_575 ? O0AA Na2 O3AA 66.42(10) . . ? O0AA Na2 O13 71.74(7) . . ? O0AA Na2 O13 71.74(7) . 8_575 ? O3AA Na2 Fe1A 38.49(5) 8_575 2_764 ? O3AA Na2 Fe1A 73.21(7) 8_575 7_865 ? O3AA Na2 Fe1A 38.49(5) . 7_865 ? O3AA Na2 Fe1A 73.21(7) . 2_764 ? O3AA Na2 Na2A 47.84(6) 8_575 4_746 ? O3AA Na2 Na2A 77.82(7) . 4_746 ? O3AA Na2 Na2A 47.84(6) . 5_776 ? O3AA Na2 Na2A 77.82(7) 8_575 5_776 ? O3AA Na2 Na3A 131.23(8) 8_575 8_575 ? O3AA Na2 Na3A 102.62(7) . 8_575 ? O3AA Na2 O3AA 50.52(11) 8_575 . ? O15 Na2 Fe1A 124.29(9) 5_776 2_764 ? O15 Na2 Fe1A 124.29(9) 5_776 7_865 ? O15 Na2 Na2A 46.83(8) 5_776 5_776 ? O15 Na2 Na2A 46.83(8) 5_776 4_746 ? O15 Na2 Na3A 134.70(9) 5_776 8_575 ? O15 Na2 O0AA 154.03(16) 5_776 . ? O15 Na2 O3AA 90.25(12) 5_776 . ? O15 Na2 O3AA 90.25(12) 5_776 8_575 ? O15 Na2 O13 108.26(7) 5_776 . ? O15 Na2 O13 108.26(7) 5_776 8_575 ? O15 Na2 O18 100.95(15) 5_776 . ? O13 Na2 Fe1A 39.91(6) 8_575 7_865 ? O13 Na2 Fe1A 109.20(8) . 7_865 ? O13 Na2 Fe1A 39.91(6) . 2_764 ? O13 Na2 Fe1A 109.20(8) 8_575 2_764 ? O13 Na2 Na2A 133.59(9) . 5_776 ? O13 Na2 Na2A 70.64(7) . 4_746 ? O13 Na2 Na2A 133.59(9) 8_575 4_746 ? O13 Na2 Na2A 70.64(7) 8_575 5_776 ? O13 Na2 Na3A 47.61(7) 8_575 8_575 ? O13 Na2 Na3A 107.68(9) . 8_575 ? O13 Na2 O3AA 109.72(10) . . ? O13 Na2 O3AA 61.93(8) 8_575 . ? O13 Na2 O3AA 109.72(10) 8_575 8_575 ? O13 Na2 O3AA 61.92(8) . 8_575 ? O13 Na2 O13 142.48(14) 8_575 . ? O18 Na2 Fe1A 118.16(9) . 7_865 ? O18 Na2 Fe1A 118.17(9) . 2_764 ? O18 Na2 Na2A 127.74(9) . 5_776 ? O18 Na2 Na2A 127.74(9) . 4_746 ? O18 Na2 Na3A 52.18(8) . 8_575 ? O18 Na2 O0AA 105.02(15) . . ? O18 Na2 O3AA 152.51(7) . 8_575 ? O18 Na2 O3AA 152.51(7) . . ? O18 Na2 O13 90.65(8) . . ? O18 Na2 O13 90.64(8) . 8_575 ? P4 Na2A P3AA 112.28(5) 6_557 . ? P4 Na2A Na2 66.84(5) 6_557 5_776 ? P4 Na2A Na 169.02(8) 6_557 . ? P4AA Na2A P3AA 111.88(6) . . ? P4AA Na2A P4 118.05(6) . 6_557 ? P4AA Na2A Na5A 76.99(6) . 5_776 ? P4AA Na2A Na2 174.30(7) . 5_776 ? P4AA Na2A Na 71.08(6) . . ? Na5A Na2A P3AA 164.71(8) 5_776 . ? Na5A Na2A P4 71.47(5) 5_776 6_557 ? Na5A Na2A Na2 102.73(7) 5_776 5_776 ? Na5A Na2A Na 106.57(7) 5_776 . ? Na2 Na2A P3AA 67.15(5) 5_776 . ? Na Na2A P3AA 66.77(4) . . ? Na Na2A Na2 103.74(7) . 5_776 ? O7 Na2A P3AA 102.97(8) 6_557 . ? O7 Na2A P4 29.56(8) 6_557 6_557 ? O7 Na2A P4AA 99.44(9) 6_557 . ? O7 Na2A Na5A 87.21(9) 6_557 5_776 ? O7 Na2A Na2 86.21(8) 6_557 5_776 ? O7 Na2A Na 160.37(11) 6_557 . ? O2AA Na2A P3AA 83.35(8) 8_575 . ? O2AA Na2A P4 124.40(9) 8_575 6_557 ? O2AA Na2A P4AA 30.46(7) 8_575 . ? O2AA Na2A Na5A 107.11(9) 8_575 5_776 ? O2AA Na2A Na2 150.13(9) 8_575 5_776 ? O2AA Na2A Na 66.57(8) 8_575 . ? O2AA Na2A O7 96.36(11) 8_575 6_557 ? O2AA Na2A O3AA 144.68(11) 8_575 5_776 ? O2AA Na2A O23 60.28(10) 8_575 . ? O3AA Na2A P3AA 124.20(9) 5_776 . ? O3AA Na2A P4 30.06(6) 5_776 6_557 ? O3AA Na2A P4AA 122.55(9) 5_776 . ? O3AA Na2A Na5A 51.85(8) 5_776 5_776 ? O3AA Na2A Na2 59.89(7) 5_776 5_776 ? O3AA Na2A Na 140.72(10) 5_776 . ? O3AA Na2A O7 58.90(10) 5_776 6_557 ? O3AA Na2A O23 93.55(11) 5_776 . ? O31 Na2A P3AA 96.69(11) 5_766 . ? O31 Na2A P4 125.24(11) 5_766 6_557 ? O31 Na2A P4AA 89.42(9) 5_766 . ? O31 Na2A Na5A 70.35(12) 5_766 5_776 ? O31 Na2A Na2 85.16(9) 5_766 5_776 ? O31 Na2A Na 45.89(11) 5_766 . ? O31 Na2A O7 153.45(14) 5_766 6_557 ? O31 Na2A O2AA 103.55(12) 5_766 8_575 ? O31 Na2A O3AA 95.24(12) 5_766 5_776 ? O31 Na2A O23 82.66(11) 5_766 . ? O15 Na2A P3AA 25.20(8) . . ? O15 Na2A P4 90.03(9) . 6_557 ? O15 Na2A P4AA 135.97(11) . . ? O15 Na2A Na5A 146.87(12) . 5_776 ? O15 Na2A Na2 44.14(10) . 5_776 ? O15 Na2A Na 86.35(9) . . ? O15 Na2A O7 89.44(10) . 6_557 ? O15 Na2A O2AA 106.02(12) . 8_575 ? O15 Na2A O3AA 99.01(11) . 5_776 ? O15 Na2A O31 101.52(13) . 5_766 ? O15 Na2A O23 166.29(14) . . ? O23 Na2A P3AA 141.99(10) . . ? O23 Na2A P4 98.24(9) . 6_557 ? O23 Na2A P4AA 30.40(8) . . ? O23 Na2A Na5A 46.83(9) . 5_776 ? O23 Na2A Na2 149.54(10) . 5_776 ? O23 Na2A Na 87.40(9) . . ? O23 Na2A O7 92.38(10) . 6_557 ? P0AA Na3A P4AA 173.18(7) . 2_764 ? P0AA Na3A P2AA 104.21(5) . . ? P0AA Na3A Na1 67.23(4) . 5_766 ? P0AA Na3A Na2 72.86(5) . . ? P4AA Na3A P2AA 79.14(4) 2_764 . ? P4AA Na3A Na1 109.14(5) 2_764 5_766 ? P4AA Na3A Na2 113.95(6) 2_764 . ? P2AA Na3A Na1 69.21(5) . 5_766 ? P2AA Na3A Na2 66.58(4) . . ? Na2 Na3A Na1 108.48(6) . 5_766 ? O2AA Na3A P0AA 156.65(8) 2_764 . ? O2AA Na3A P4AA 29.14(5) 2_764 2_764 ? O2AA Na3A P2AA 79.71(7) 2_764 . ? O2AA Na3A Na1 133.72(8) 2_764 5_766 ? O2AA Na3A Na2 88.28(7) 2_764 . ? O2AA Na3A O33 105.05(9) 2_764 . ? O33 Na3A P0AA 85.34(7) . . ? O33 Na3A P4AA 95.54(7) . 2_764 ? O33 Na3A P2AA 28.08(7) . . ? O33 Na3A Na1 41.62(8) . 5_766 ? O33 Na3A Na2 79.55(7) . . ? O13 Na3A P0AA 108.96(8) . . ? O13 Na3A P4AA 76.77(7) . 2_764 ? O13 Na3A P2AA 27.18(6) . . ? O13 Na3A Na1 95.23(8) . 5_766 ? O13 Na3A Na2 47.60(7) . . ? O13 Na3A O2AA 64.38(8) . 2_764 ? O13 Na3A O33 53.63(10) . . ? O13 Na3A O26 124.59(10) . . ? O13 Na3A O18 82.92(10) . . ? O26 Na3A P0AA 29.85(6) . . ? O26 Na3A P4AA 143.65(9) . 2_764 ? O26 Na3A P2AA 106.99(8) . . ? O26 Na3A Na1 46.45(7) . 5_766 ? O26 Na3A Na2 100.86(8) . . ? O26 Na3A O2AA 170.23(10) . 2_764 ? O26 Na3A O33 80.24(10) . . ? O26 Na3A O18 58.23(10) . . ? O29 Na3A P0AA 146.33(11) . . ? O29 Na3A P4AA 27.32(9) . 2_764 ? O29 Na3A P2AA 83.37(9) . . ? O29 Na3A Na1 85.93(9) . 5_766 ? O29 Na3A Na2 137.73(12) . . ? O29 Na3A O2AA 56.40(11) . 2_764 ? O29 Na3A O33 87.58(10) . . ? O29 Na3A O13 92.79(12) . . ? O29 Na3A O26 116.48(13) . . ? O29 Na3A O18 167.54(11) . . ? O29 Na3A O27 101.47(11) . . ? O18 Na3A P0AA 29.66(8) . . ? O18 Na3A P4AA 157.14(10) . 2_764 ? O18 Na3A P2AA 87.61(7) . . ? O18 Na3A Na1 82.84(7) . 5_766 ? O18 Na3A Na2 43.22(8) . . ? O18 Na3A O2AA 130.22(11) . 2_764 ? O18 Na3A O33 80.44(8) . . ? O27 Na3A P0AA 80.01(9) . . ? O27 Na3A P4AA 98.34(9) . 2_764 ? O27 Na3A P2AA 164.52(11) . . ? O27 Na3A Na1 125.46(11) . 5_766 ? O27 Na3A Na2 101.32(9) . . ? O27 Na3A O2AA 90.67(11) . 2_764 ? O27 Na3A O33 164.28(13) . . ? O27 Na3A O13 137.34(13) . . ? O27 Na3A O26 84.20(11) . . ? O27 Na3A O18 89.48(10) . . ? P4AA Na4A P4 111.63(6) 6_657 . ? P4AA Na4A P1AA 118.71(8) 6_657 1_665 ? P4AA Na4A P5AA 109.16(5) 6_657 . ? P4AA Na4A Na2A 57.34(4) 6_657 6_657 ? P4AA Na4A Na3 168.40(8) 6_657 1_665 ? P1AA Na4A P4 109.36(5) 1_665 . ? P1AA Na4A P5AA 111.78(6) 1_665 . ? P1AA Na4A Na2A 130.63(7) 1_665 6_657 ? P1AA Na4A Na3 72.84(5) 1_665 1_665 ? P5AA Na4A P4 93.32(6) . . ? P5AA Na4A Na2A 115.25(7) . 6_657 ? P5AA Na4A Na3 64.61(4) . 1_665 ? Na2A Na4A P4 54.65(4) 6_657 . ? Na2A Na4A Na3 115.22(7) 6_657 1_665 ? Na3 Na4A P4 60.63(5) 1_665 . ? O7 Na4A P4 24.31(8) . . ? O7 Na4A P4AA 103.93(9) . 6_657 ? O7 Na4A P1AA 95.45(8) . 1_665 ? O7 Na4A P5AA 117.40(11) . . ? O7 Na4A Na2A 49.58(8) . 6_657 ? O7 Na4A Na3 72.47(10) . 1_665 ? O7 Na4A O22 142.95(15) . . ? O7 Na4A O29 128.12(13) . 5_866 ? O7 Na4A O11 83.78(10) . 1_665 ? O7 Na4A O27 82.25(10) . 5_876 ? O22 Na4A P4 118.81(11) . . ? O22 Na4A P4AA 95.89(8) . 6_657 ? O22 Na4A P1AA 102.05(9) . 1_665 ? O22 Na4A P5AA 25.55(9) . . ? O22 Na4A Na2A 127.00(10) . 6_657 ? O22 Na4A Na3 81.83(8) . 1_665 ? O22 Na4A O29 82.94(11) . 5_866 ? O22 Na4A O11 94.35(10) . 1_665 ? O22 Na4A O27 126.98(13) . 5_876 ? O23 Na4A P4 92.80(9) 6_657 . ? O23 Na4A P4AA 31.43(8) 6_657 6_657 ? O23 Na4A P1AA 149.92(12) 6_657 1_665 ? O23 Na4A P5AA 86.07(9) 6_657 . ? O23 Na4A Na2A 48.87(7) 6_657 6_657 ? O23 Na4A Na3 137.12(11) 6_657 1_665 ? O23 Na4A O7 97.27(11) 6_657 . ? O23 Na4A O22 83.60(11) 6_657 . ? O23 Na4A O29 56.25(11) 6_657 5_866 ? O23 Na4A O11 177.73(13) 6_657 1_665 ? O23 Na4A O27 125.70(13) 6_657 5_876 ? O29 Na4A P4 141.54(10) 5_866 . ? O29 Na4A P4AA 30.51(8) 5_866 6_657 ? O29 Na4A P1AA 94.75(9) 5_866 1_665 ? O29 Na4A P5AA 105.28(7) 5_866 . ? O29 Na4A Na2A 86.90(9) 5_866 6_657 ? O29 Na4A Na3 157.78(10) 5_866 1_665 ? O11 Na4A P4 87.34(9) 1_665 . ? O11 Na4A P4AA 150.21(12) 1_665 6_657 ? O11 Na4A P1AA 31.53(8) 1_665 1_665 ? O11 Na4A P5AA 91.66(8) 1_665 . ? O11 Na4A Na2A 132.54(9) 1_665 6_657 ? O11 Na4A Na3 41.32(9) 1_665 1_665 ? O11 Na4A O29 124.54(12) 1_665 5_866 ? O11 Na4A O27 56.39(11) 1_665 5_876 ? O27 Na4A P4 104.15(7) 5_876 . ? O27 Na4A P4AA 95.63(9) 5_876 6_657 ? O27 Na4A P1AA 30.43(8) 5_876 1_665 ? O27 Na4A P5AA 141.89(10) 5_876 . ? O27 Na4A Na2A 102.38(9) 5_876 6_657 ? O27 Na4A Na3 94.79(8) 5_876 1_665 ? O27 Na4A O29 81.62(9) 5_876 5_866 ? Fe Na3 Fe 65.90(4) 4_556 . ? Fe Na3 Na7 102.04(6) 4_556 1_445 ? Fe Na3 Na7 67.66(4) 4_556 8_475 ? Fe Na3 Na7 102.05(6) . 8_475 ? Fe Na3 Na7 67.66(4) . 1_445 ? Fe Na3 Na4A 114.02(3) . 1_445 ? Fe Na3 Na4A 171.02(8) 4_556 1_445 ? Na7 Na3 Na7 65.55(7) 1_445 8_475 ? Na7 Na3 Na4A 85.76(6) 1_445 1_445 ? Na7 Na3 Na4A 120.27(7) 8_475 1_445 ? Na1A Na3 Fe 109.88(7) 1_445 4_556 ? Na1A Na3 Fe 109.88(7) 8_475 . ? Na1A Na3 Fe 71.97(4) 8_475 4_556 ? Na1A Na3 Fe 71.97(4) 1_445 . ? Na1A Na3 Na7 173.93(7) 8_475 1_445 ? Na1A Na3 Na7 110.36(4) 1_445 1_445 ? Na1A Na3 Na7 110.36(4) 8_475 8_475 ? Na1A Na3 Na7 173.93(7) 1_445 8_475 ? Na1A Na3 Na4A 62.68(5) 1_445 1_445 ? Na1A Na3 Na4A 100.28(7) 8_475 1_445 ? Na1A Na3 Na1A 73.32(7) 8_475 1_445 ? O4AA Na3 Fe 36.90(4) . 4_556 ? O4AA Na3 Fe 36.90(4) . . ? O4AA Na3 Na7 69.50(9) . 1_445 ? O4AA Na3 Na7 69.50(9) . 8_475 ? O4AA Na3 Na4A 147.07(4) . 1_445 ? O4AA Na3 Na1A 105.09(10) . 8_475 ? O4AA Na3 Na1A 105.09(10) . 1_445 ? O4AA Na3 O16 72.84(8) . 1_445 ? O4AA Na3 O16 72.84(8) . 8_475 ? O6 Na3 Fe 111.95(10) 1_445 4_556 ? O6 Na3 Fe 111.95(10) 1_445 . ? O6 Na3 Na7 45.44(7) 1_445 1_445 ? O6 Na3 Na7 45.44(7) 1_445 8_475 ? O6 Na3 Na4A 76.67(10) 1_445 1_445 ? O6 Na3 Na1A 135.22(7) 1_445 1_445 ? O6 Na3 Na1A 135.23(7) 1_445 8_475 ? O6 Na3 O4AA 98.82(15) 1_445 . ? O6 Na3 O16 102.31(9) 1_445 1_445 ? O6 Na3 O16 102.31(9) 1_445 8_475 ? O16 Na3 Fe 103.43(9) 1_445 4_556 ? O16 Na3 Fe 37.76(6) 1_445 . ? O16 Na3 Fe 103.43(9) 8_475 . ? O16 Na3 Fe 37.76(6) 8_475 4_556 ? O16 Na3 Na7 61.16(8) 1_445 1_445 ? O16 Na3 Na7 122.39(10) 8_475 1_445 ? O16 Na3 Na7 61.16(8) 8_475 8_475 ? O16 Na3 Na7 122.39(10) 1_445 8_475 ? O16 Na3 Na4A 140.09(9) 8_475 1_445 ? O16 Na3 Na4A 76.31(7) 1_445 1_445 ? O16 Na3 Na1A 52.15(8) 8_475 8_475 ? O16 Na3 Na1A 120.61(10) 1_445 8_475 ? O16 Na3 Na1A 120.61(10) 8_475 1_445 ? O16 Na3 Na1A 52.15(8) 1_445 1_445 ? O16 Na3 O16 140.18(15) 1_445 8_475 ? O11 Na3 Fe 123.99(10) . 4_556 ? O11 Na3 Fe 123.99(10) . . ? O11 Na3 Na7 133.67(9) . 1_445 ? O11 Na3 Na7 133.67(9) . 8_475 ? O11 Na3 Na4A 47.93(8) . 1_445 ? O11 Na3 Na1A 52.39(8) . 1_445 ? O11 Na3 Na1A 52.39(8) . 8_475 ? O11 Na3 O4AA 149.40(17) . . ? O11 Na3 O6 111.78(16) . 1_445 ? O11 Na3 O16 99.64(9) . 1_445 ? O11 Na3 O16 99.64(9) . 8_475 ? Fe1A Na Fe1A 66.13(5) 8_575 . ? Fe1A Na Na0A 168.80(9) 8_575 4_756 ? Fe1A Na Na0A 111.91(3) . 4_756 ? Fe1A Na Na7 69.94(5) . 8_575 ? Fe1A Na Na7 105.25(7) . . ? Fe1A Na Na7 69.94(5) 8_575 . ? Fe1A Na Na7 105.25(7) 8_575 8_575 ? Fe1A Na Na2A 108.96(8) 8_575 8_575 ? Fe1A Na Na2A 108.96(8) . . ? Fe1A Na Na2A 72.61(5) 8_575 . ? Fe1A Na Na2A 72.61(5) . 8_575 ? Na7 Na Na0A 64.49(6) 8_575 4_756 ? Na7 Na Na0A 100.85(8) . 4_756 ? Na7 Na Na7 67.48(7) 8_575 . ? Na2A Na Na0A 80.03(6) 8_575 4_756 ? Na2A Na Na0A 117.63(9) . 4_756 ? Na2A Na Na7 111.36(4) . . ? Na2A Na Na7 177.86(9) . 8_575 ? Na2A Na Na7 111.36(4) 8_575 8_575 ? Na2A Na Na7 177.86(9) 8_575 . ? Na2A Na Na2A 69.74(8) . 8_575 ? O8AA Na Fe1A 36.71(5) . 8_575 ? O8AA Na Fe1A 36.71(5) . . ? O8AA Na Na0A 135.78(9) . 4_756 ? O8AA Na Na7 73.28(10) . 8_575 ? O8AA Na Na7 73.28(10) . . ? O8AA Na Na2A 104.72(11) . . ? O8AA Na Na2A 104.72(11) . 8_575 ? O8AA Na O1AA 111.56(17) . . ? O8AA Na O25 70.71(8) . . ? O8AA Na O25 70.71(8) . 8_575 ? O8AA Na O31 143.63(18) . 5_766 ? O1AA Na Fe1A 121.46(10) . . ? O1AA Na Fe1A 121.46(11) . 8_575 ? O1AA Na Na0A 49.18(8) . 4_756 ? O1AA Na Na7 51.70(8) . 8_575 ? O1AA Na Na7 51.70(9) . . ? O1AA Na Na2A 129.21(10) . . ? O1AA Na Na2A 129.21(10) . 8_575 ? O1AA Na O25 94.95(9) . 8_575 ? O1AA Na O25 94.95(9) . . ? O1AA Na O31 104.80(17) . 5_766 ? O25 Na Fe1A 105.01(9) 8_575 8_575 ? O25 Na Fe1A 39.63(6) . 8_575 ? O25 Na Fe1A 105.01(9) . . ? O25 Na Fe1A 39.63(6) 8_575 . ? O25 Na Na0A 72.28(7) 8_575 4_756 ? O25 Na Na0A 138.26(10) . 4_756 ? O25 Na Na7 49.58(7) . . ? O25 Na Na7 113.54(10) 8_575 . ? O25 Na Na7 113.54(10) . 8_575 ? O25 Na Na7 49.58(7) 8_575 8_575 ? O25 Na Na2A 64.80(7) . . ? O25 Na Na2A 130.73(11) 8_575 . ? O25 Na Na2A 130.74(11) . 8_575 ? O25 Na Na2A 64.80(7) 8_575 8_575 ? O25 Na O25 141.16(15) 8_575 . ? O31 Na Fe1A 120.04(11) 5_766 . ? O31 Na Fe1A 120.04(11) 5_766 8_575 ? O31 Na Na0A 70.84(11) 5_766 4_756 ? O31 Na Na7 133.97(10) 5_766 8_575 ? O31 Na Na7 133.97(10) 5_766 . ? O31 Na Na2A 48.15(8) 5_766 8_575 ? O31 Na Na2A 48.15(8) 5_766 . ? O31 Na O25 106.76(8) 5_766 . ? O31 Na O25 106.76(8) 5_766 8_575 ? P1AA Na1A P5AA 113.58(6) 1_665 . ? P1AA Na1A P 104.69(5) 1_665 5_776 ? P1AA Na1A Na3 72.92(5) 1_665 1_665 ? P1AA Na1A Na1A 128.63(3) 1_665 8_575 ? P5AA Na1A P 110.77(5) . 5_776 ? P5AA Na1A Na3 68.38(4) . 1_665 ? P5AA Na1A Na1A 58.29(3) . 8_575 ? P Na1A Na1A 126.11(3) 5_776 8_575 ? Na3 Na1A P 71.25(5) 1_665 5_776 ? Na3 Na1A Na1A 126.66(4) 1_665 8_575 ? O5AA Na1A P1AA 83.73(9) 5_776 1_665 ? O5AA Na1A P5AA 135.08(10) 5_776 . ? O5AA Na1A P 26.21(8) 5_776 5_776 ? O5AA Na1A Na3 79.13(10) 5_776 1_665 ? O5AA Na1A Na1A 140.95(8) 5_776 8_575 ? O5AA Na1A O6AA 53.93(10) 5_776 5_666 ? O5AA Na1A O16 105.38(12) 5_776 . ? O5AA Na1A O22 161.80(13) 5_776 . ? O5AA Na1A O11 80.43(10) 5_776 1_665 ? O6AA Na1A P1AA 127.53(8) 5_666 1_665 ? O6AA Na1A P5AA 85.44(7) 5_666 . ? O6AA Na1A P 27.81(6) 5_666 5_776 ? O6AA Na1A Na3 70.09(7) 5_666 1_665 ? O6AA Na1A Na1A 103.33(6) 5_666 8_575 ? O16 Na1A P1AA 115.12(8) . 1_665 ? O16 Na1A P5AA 29.81(6) . . ? O16 Na1A P 82.23(7) . 5_776 ? O16 Na1A Na3 48.03(7) . 1_665 ? O16 Na1A Na1A 81.89(7) . 8_575 ? O16 Na1A O6AA 59.96(8) . 5_666 ? O22 Na1A P1AA 97.15(9) . 1_665 ? O22 Na1A P5AA 28.97(8) . . ? O22 Na1A P 139.68(10) . 5_776 ? O22 Na1A Na3 83.75(8) . 1_665 ? O22 Na1A Na1A 49.50(7) . 8_575 ? O22 Na1A O6AA 114.07(11) . 5_666 ? O22 Na1A O16 57.73(10) . . ? O22 Na1A O11 91.28(10) . 1_665 ? O11 Na1A P1AA 29.85(8) 1_665 1_665 ? O11 Na1A P5AA 94.95(8) 1_665 . ? O11 Na1A P 91.30(8) 1_665 5_776 ? O11 Na1A Na3 43.08(8) 1_665 1_665 ? O11 Na1A Na1A 138.61(7) 1_665 8_575 ? O11 Na1A O6AA 105.30(10) 1_665 5_666 ? O11 Na1A O16 87.21(10) 1_665 . ? O20 Na1A P1AA 29.52(6) 8_675 1_665 ? O20 Na1A P5AA 122.23(9) 8_675 . ? O20 Na1A P 119.54(9) 8_675 5_776 ? O20 Na1A Na3 102.07(8) 8_675 1_665 ? O20 Na1A Na1A 106.26(7) 8_675 8_575 ? O20 Na1A O5AA 93.68(11) 8_675 5_776 ? O20 Na1A O6AA 147.26(11) 8_675 5_666 ? O20 Na1A O16 138.02(11) 8_675 . ? O20 Na1A O22 95.89(11) 8_675 . ? O20 Na1A O11 59.09(10) 8_675 1_665 ? O10 Na1A P1AA 127.64(10) . 1_665 ? O10 Na1A P5AA 100.54(9) . . ? O10 Na1A P 98.28(10) . 5_776 ? O10 Na1A Na3 159.33(11) . 1_665 ? O10 Na1A Na1A 45.39(7) . 8_575 ? O10 Na1A O5AA 99.43(12) . 5_776 ? O10 Na1A O6AA 92.22(11) . 5_666 ? O10 Na1A O16 114.16(11) . . ? O10 Na1A O22 94.39(10) . . ? O10 Na1A O11 157.48(13) . 1_665 ? O10 Na1A O20 98.61(11) . 8_675 ? Fe1A O0AA Fe1A 127.51(17) 2_764 7_865 ? Fe1A O0AA Na2 92.86(10) 2_764 . ? Fe1A O0AA Na2 92.86(10) 7_865 . ? Fe1A O8AA Fe1A 129.6(2) 8_575 . ? Fe1A O8AA Na5A 102.27(12) 8_575 2_775 ? Fe1A O8AA Na5A 102.27(12) . 2_775 ? Fe1A O8AA Na 97.49(12) 8_575 . ? Fe1A O8AA Na 97.50(12) . . ? Na5A O8AA Na 132.2(2) 2_775 . ? Fe O4AA Fe 126.45(18) 4_556 . ? Fe O4AA Na3 99.79(11) 4_556 . ? Fe O4AA Na3 99.79(11) . . ? P4 O6 Na7 119.09(13) . . ? P4 O6 Na7 119.09(12) . 8_585 ? P4 O6 Na3 129.0(2) . 1_665 ? Na7 O6 Na7 98.83(15) . 8_585 ? Na3 O6 Na7 91.71(12) 1_665 . ? Na3 O6 Na7 91.71(12) 1_665 8_585 ? P4 O7 Na2A 94.87(14) . 3_576 ? P4 O7 Na2A 94.87(14) . 6_657 ? P4 O7 Na4A 113.93(14) . 8_585 ? P4 O7 Na4A 113.93(14) . . ? Na2A O7 Na2A 85.56(13) 6_657 3_576 ? Na4A O7 Na2A 149.72(16) 8_585 6_657 ? Na4A O7 Na2A 82.98(6) . 6_657 ? Na4A O7 Na2A 149.72(16) . 3_576 ? Na4A O7 Na2A 82.98(6) 8_585 3_576 ? Na4A O7 Na4A 93.06(14) . 8_585 ? P O5AA Na1 152.4(3) . . ? P O5AA Na0A 81.31(13) . 5_766 ? P O5AA Na0A 81.31(13) . 4_756 ? P O5AA Na1A 107.39(14) . 5_776 ? P O5AA Na1A 107.39(14) . 4_746 ? Na1 O5AA Na0A 78.11(11) . 4_756 ? Na1 O5AA Na0A 78.11(11) . 5_766 ? Na1 O5AA Na1A 89.58(11) . 5_776 ? Na1 O5AA Na1A 89.58(11) . 4_746 ? Na0A O5AA Na0A 83.16(13) 4_756 5_766 ? Na1A O5AA Na0A 86.34(6) 4_746 4_756 ? Na1A O5AA Na0A 165.21(16) 5_776 4_756 ? Na1A O5AA Na0A 86.34(6) 5_776 5_766 ? Na1A O5AA Na0A 165.21(16) 4_746 5_766 ? Na1A O5AA Na1A 101.90(16) 5_776 4_746 ? Fe O6AA Na7 103.74(12) . 1_445 ? Fe O6AA Na1A 100.09(12) . 5_666 ? P O6AA Fe 140.10(17) 1_445 . ? P O6AA Na7 94.17(15) 1_445 1_445 ? P O6AA Na1A 88.21(14) 1_445 5_666 ? Na7 O6AA Na1A 139.06(11) 1_445 5_666 ? Fe1A O2AA Na2A 117.19(12) . 8_575 ? Fe1A O2AA Na3A 89.32(9) . 2_765 ? P4AA O2AA Fe1A 133.55(16) . . ? P4AA O2AA Na2A 97.23(13) . 8_575 ? P4AA O2AA Na3A 84.83(12) . 2_765 ? Na2A O2AA Na3A 136.98(12) 8_575 2_765 ? Fe1A O3AA Na5A 90.65(11) 7_865 . ? Fe1A O3AA Na2 77.30(8) 7_865 . ? Fe1A O3AA Na2A 123.76(12) 7_865 5_776 ? P4 O3AA Fe1A 134.06(16) 2_774 7_865 ? P4 O3AA Na5A 123.79(15) 2_774 . ? P4 O3AA Na2 97.00(12) 2_774 . ? P4 O3AA Na2A 96.15(12) 2_774 5_776 ? Na5A O3AA Na2 129.79(12) . . ? Na5A O3AA Na2A 75.19(10) . 5_776 ? Na2A O3AA Na2 72.27(8) 5_776 . ? P O1AA Na0A 91.23(14) . 5_766 ? P O1AA Na0A 91.23(14) . 4_756 ? P O1AA Na7 98.23(15) . . ? P O1AA Na7 98.23(15) . 8_575 ? P O1AA Na 178.4(3) . . ? Na0A O1AA Na0A 94.70(15) 4_756 5_766 ? Na7 O1AA Na0A 170.30(17) 8_575 5_766 ? Na7 O1AA Na0A 87.28(5) 8_575 4_756 ? Na7 O1AA Na0A 87.28(5) . 5_766 ? Na7 O1AA Na0A 170.30(17) . 4_756 ? Na7 O1AA Na7 89.23(14) 8_575 . ? Na O1AA Na0A 87.72(12) . 4_756 ? Na O1AA Na0A 87.72(12) . 5_766 ? Na O1AA Na7 82.86(12) . . ? Na O1AA Na7 82.86(11) . 8_575 ? P3AA O24 Na0A 105.41(15) . 5_766 ? P3AA O24 Na0A 105.41(15) . 4_766 ? P3AA O24 Na7 92.08(13) . 8_585 ? P3AA O24 Na7 92.09(13) . . ? Na0A O24 Na0A 90.71(14) 5_766 4_766 ? Na0A O24 Na7 161.86(17) 5_766 8_585 ? Na0A O24 Na7 89.21(6) 4_766 8_585 ? Na0A O24 Na7 89.21(6) 5_766 . ? Na0A O24 Na7 161.85(17) 4_766 . ? Na7 O24 Na7 85.29(12) 8_585 . ? Fe1A O25 Na7 108.66(11) 8_575 . ? Fe1A O25 Na 90.53(11) 8_575 . ? P3AA O25 Fe1A 137.44(16) . 8_575 ? P3AA O25 Na7 98.01(13) . . ? P3AA O25 Na 126.41(14) . . ? Na O25 Na7 81.88(11) . . ? P2AA O31 Na2A 120.62(13) . 5_766 ? P2AA O31 Na2A 120.62(13) . 4_746 ? P2AA O31 Na 133.9(3) . 5_766 ? Na2A O31 Na2A 99.91(17) 5_766 4_746 ? Na O31 Na2A 85.96(12) 5_766 4_746 ? Na O31 Na2A 85.96(12) 5_766 5_766 ? P2AA O33 Na1 159.6(3) . 5_766 ? P2AA O33 Na0A 107.65(15) . . ? P2AA O33 Na0A 107.65(15) . 8_565 ? P2AA O33 Na3A 85.70(14) . . ? P2AA O33 Na3A 85.70(14) . 8_565 ? Na1 O33 Na0A 85.28(11) 5_766 . ? Na1 O33 Na0A 85.28(11) 5_766 8_565 ? Na1 O33 Na3A 78.50(12) 5_766 . ? Na1 O33 Na3A 78.50(12) 5_766 8_565 ? Na0A O33 Na0A 98.39(15) . 8_565 ? Na0A O33 Na3A 89.63(6) 8_565 . ? Na0A O33 Na3A 161.26(16) . . ? Na0A O33 Na3A 161.26(16) 8_565 8_565 ? Na0A O33 Na3A 89.63(6) . 8_565 ? Na3A O33 Na3A 78.07(12) . 8_565 ? P3AA O15 Na2 144.1(2) . 5_776 ? P3AA O15 Na2A 114.12(14) . . ? P3AA O15 Na2A 114.12(14) . 8_585 ? Na2 O15 Na2A 89.03(12) 5_776 8_585 ? Na2 O15 Na2A 89.03(12) 5_776 . ? Na2A O15 Na2A 95.33(16) 8_585 . ? Fe O16 Na7 91.34(10) 1_665 . ? Fe O16 Na3 94.34(11) 1_665 1_665 ? Fe O16 Na1A 111.71(12) 1_665 . ? P5AA O16 Fe 136.58(17) . 1_665 ? P5AA O16 Na7 84.42(13) . . ? P5AA O16 Na3 125.13(15) . 1_665 ? P5AA O16 Na1A 94.19(13) . . ? Na3 O16 Na7 73.54(9) 1_665 . ? Na3 O16 Na1A 79.82(10) 1_665 . ? Na1A O16 Na7 145.97(11) . . ? P5AA O17 Na5A 135.0(3) 2_774 . ? P5AA O17 Na7 111.24(15) 2_774 7_865 ? P5AA O17 Na7 111.24(15) 2_774 2_774 ? Na5A O17 Na7 97.74(13) . 2_774 ? Na5A O17 Na7 97.74(13) . 7_865 ? Na7 O17 Na7 97.17(16) 2_774 7_865 ? P5AA O22 Na4A 110.02(15) . 8_575 ? P5AA O22 Na4A 110.02(15) . . ? P5AA O22 Na1A 97.72(15) . 8_575 ? P5AA O22 Na1A 97.72(15) . . ? Na4A O22 Na4A 91.76(14) 8_575 . ? Na4A O22 Na1A 86.64(6) . . ? Na4A O22 Na1A 150.92(17) 8_575 . ? Na4A O22 Na1A 86.64(6) 8_575 8_575 ? Na4A O22 Na1A 150.92(17) . 8_575 ? Na1A O22 Na1A 81.01(13) . 8_575 ? Fe1A O13 Na2 89.82(10) 2_764 . ? Fe1A O13 Na3A 103.37(10) 2_764 . ? P2AA O13 Fe1A 133.74(16) . 2_764 ? P2AA O13 Na2 126.72(14) . . ? P2AA O13 Na3A 106.90(14) . . ? Na2 O13 Na3A 84.79(10) . . ? Fe0A O26 Na1 89.59(10) 1_655 5_766 ? Fe0A O26 Na3A 114.78(11) 1_655 . ? P0AA O26 Fe0A 134.06(15) . 1_655 ? P0AA O26 Na1 125.82(13) . 5_766 ? P0AA O26 Na3A 97.44(13) . . ? Na1 O26 Na3A 86.51(10) 5_766 . ? P4AA O23 Na5A 168.4(2) . 5_776 ? P4AA O23 Na2A 93.44(13) . . ? P4AA O23 Na2A 93.44(13) . 8_575 ? P4AA O23 Na4A 93.70(14) . 3_466 ? P4AA O23 Na4A 93.70(14) . 6_557 ? Na5A O23 Na2A 78.70(11) 5_776 8_575 ? Na5A O23 Na2A 78.70(11) 5_776 . ? Na5A O23 Na4A 94.11(12) 5_776 3_466 ? Na5A O23 Na4A 94.11(12) 5_776 6_557 ? Na2A O23 Na2A 93.64(14) . 8_575 ? Na4A O23 Na2A 85.10(6) 6_557 . ? Na4A O23 Na2A 172.81(16) 3_466 . ? Na4A O23 Na2A 85.10(6) 3_466 8_575 ? Na4A O23 Na2A 172.81(16) 6_557 8_575 ? Na4A O23 Na4A 95.27(15) 3_466 6_557 ? P4AA O29 Na3A 107.60(14) 2_764 . ? P4AA O29 Na3A 107.60(14) 2_764 8_565 ? P4AA O29 Na4A 78.21(13) 2_764 4_846 ? P4AA O29 Na4A 78.21(13) 2_764 5_866 ? Na3A O29 Na3A 105.93(16) . 8_565 ? Na3A O29 Na4A 87.38(6) 8_565 5_866 ? Na3A O29 Na4A 162.45(15) . 5_866 ? Na3A O29 Na4A 162.45(15) 8_565 4_846 ? Na3A O29 Na4A 87.38(6) . 4_846 ? Na4A O29 Na4A 77.49(12) 5_866 4_846 ? Fe0A O21 Fe0A 126.73(18) 4_656 . ? Fe0A O21 Na1 93.49(11) 4_656 . ? Fe0A O21 Na1 93.49(10) . . ? P0AA O18 Na0A 92.42(14) . 8_565 ? P0AA O18 Na0A 92.42(14) . 1_565 ? P0AA O18 Na2 176.5(2) . . ? P0AA O18 Na3A 92.72(14) . . ? P0AA O18 Na3A 92.72(14) . 8_575 ? Na0A O18 Na0A 83.43(13) 8_565 1_565 ? Na0A O18 Na3A 97.45(5) 1_565 8_575 ? Na0A O18 Na3A 97.45(5) 8_565 . ? Na0A O18 Na3A 174.75(16) 1_565 . ? Na0A O18 Na3A 174.75(16) 8_565 8_575 ? Na2 O18 Na0A 90.22(11) . 8_565 ? Na2 O18 Na0A 90.22(11) . 1_565 ? Na2 O18 Na3A 84.61(11) . 8_575 ? Na2 O18 Na3A 84.61(11) . . ? Na3A O18 Na3A 81.20(12) . 8_575 ? P1AA O11 Na4A 90.75(13) . 1_445 ? P1AA O11 Na4A 90.75(14) . 8_475 ? P1AA O11 Na3 177.8(2) . . ? P1AA O11 Na1A 94.04(13) . 1_445 ? P1AA O11 Na1A 94.04(13) . 8_475 ? Na4A O11 Na4A 91.94(14) 1_445 8_475 ? Na4A O11 Na1A 85.21(5) 1_445 1_445 ? Na4A O11 Na1A 174.44(15) 8_475 1_445 ? Na4A O11 Na1A 85.21(5) 8_475 8_475 ? Na4A O11 Na1A 174.44(15) 1_445 8_475 ? Na3 O11 Na4A 90.75(12) . 1_445 ? Na3 O11 Na4A 90.75(12) . 8_475 ? Na3 O11 Na1A 84.53(11) . 8_475 ? Na3 O11 Na1A 84.53(11) . 1_445 ? Na1A O11 Na1A 97.23(14) 8_475 1_445 ? Fe0A O20 Na1 77.71(9) . 5_666 ? Fe0A O20 Na1A 124.09(12) . 8_475 ? P1AA O20 Fe0A 132.76(15) . . ? P1AA O20 Na1 96.49(12) . 5_666 ? P1AA O20 Na1A 98.80(12) . 8_475 ? Na1A O20 Na1 76.29(9) 8_475 5_666 ? P0AA O10 Na0A 83.86(14) . 1_565 ? P0AA O10 Na0A 83.86(14) . 8_565 ? P0AA O10 Na1A 121.04(13) . 8_575 ? P0AA O10 Na1A 121.04(14) . . ? Na0A O10 Na0A 75.04(12) 8_565 1_565 ? Na1A O10 Na0A 90.76(7) 8_575 8_565 ? Na1A O10 Na0A 150.30(16) . 8_565 ? Na1A O10 Na0A 90.76(7) . 1_565 ? Na1A O10 Na0A 150.30(16) 8_575 1_565 ? Na1A O10 Na1A 89.23(15) 8_575 . ? P1AA O27 Na3A 121.57(14) 5_766 8_575 ? P1AA O27 Na3A 121.57(14) 5_766 . ? P1AA O27 Na4A 81.40(13) 5_766 4_846 ? P1AA O27 Na4A 81.40(13) 5_766 5_876 ? Na3A O27 Na3A 90.54(14) 8_575 . ? Na3A O27 Na4A 152.84(17) 8_575 4_846 ? Na3A O27 Na4A 88.27(6) . 4_846 ? Na3A O27 Na4A 152.84(17) . 5_876 ? Na3A O27 Na4A 88.27(6) 8_575 5_876 ? Na4A O27 Na4A 80.70(12) 4_846 5_876 ? loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z 16 1 -29 0.0638 16.0001 0.9999 -29.0020 -0.6563 0.0265 0.7797 -16 0 29 0.0672 -16.0001 0.0001 29.0019 0.7254 -0.0333 -0.7088 0 -10 -3 0.1172 -0.0000 -10.0000 -2.9997 -0.7310 0.0168 -0.6757 -5 8 23 0.1289 -5.0000 8.0001 23.0004 0.9644 0.1711 0.1890 13 0 -33 0.0579 13.0001 -0.0001 -33.0016 -0.7145 -0.1324 0.6823 -3 4 -38 0.0827 -3.0000 4.0000 -37.9998 -0.1635 -0.7672 0.6408 -13 -1 -32 0.0443 -13.0001 -0.9999 -31.9984 -0.2165 -0.9591 -0.0202 13 1 33 0.0688 13.0001 0.9999 32.9984 0.2297 0.9760 0.0090 17 5 18 0.1023 17.0001 4.9999 17.9978 0.2221 0.8263 0.5574 -3 -6 34 0.1082 -3.0000 -6.0000 34.0005 0.1000 0.5168 -0.8807 -17 -6 -10 0.0892 -17.0001 -5.9999 -9.9978 -0.1852 -0.6844 -0.7186 22 -1 6 0.0618 22.0001 -1.0002 5.9974 -0.4582 0.8276 0.3863 13 -6 21 0.0984 13.0001 -6.0001 20.9986 -0.4132 0.8205 -0.3524 -21 -1 -8 0.0382 -21.0001 -0.9998 -7.9974 0.2722 -0.8152 -0.4818 -3 10 9 0.1287 -3.0000 10.0001 9.0001 0.8744 -0.0136 0.5365 -4 -1 -40 0.0342 -4.0000 -1.0000 -39.9995 -0.5143 -0.7999 0.2847 14 -5 -22 0.0720 14.0001 -5.0001 -22.0015 -0.9356 0.1199 0.2273