data_berthieriteP1 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Fe S4 Sb2' _chemical_formula_weight 427.59 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source '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' 'Sb' 'Sb' -0.5866 1.5461 '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, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, y, -z-1/2' '-x-1/2, y-1/2, z-1/2' 'x-1/2, -y-1/2, z' _cell_length_a 11.2796(4) _cell_length_b 13.9181(10) _cell_length_c 3.7483(4) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 588.45(8) _cell_formula_units_Z 4 _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 4.826 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 768 _exptl_absorpt_coefficient_mu 12.819 _exptl_absorpt_correction_type Gaussian _exptl_absorpt_correction_T_min 0.098 _exptl_absorpt_correction_T_max 0.158 _exptl_absorpt_process_details Absorb(Angel,2004) _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 1981 _diffrn_reflns_av_R_equivalents 0.1199 _diffrn_reflns_av_sigmaI/netI 0.0692 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 5 _diffrn_reflns_limit_l_min -5 _diffrn_reflns_limit_l_max 5 _diffrn_reflns_theta_min 3.61 _diffrn_reflns_theta_max 29.71 _reflns_number_total 290 _reflns_number_gt 244 _reflns_threshold_expression >2sigma(I) _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _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^)+(0.0400P)^2^+4.0753P] 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 0.0018(6) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 290 _refine_ls_number_parameters 32 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0795 _refine_ls_R_factor_gt 0.0629 _refine_ls_wR_factor_ref 0.1013 _refine_ls_wR_factor_gt 0.0961 _refine_ls_goodness_of_fit_ref 1.184 _refine_ls_restrained_S_all 1.184 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Fe Fe 0.3167(2) 0.3339(7) 0.2500 0.016(6) Uani 1 2 d S . . Sb1 Sb 0.14403(11) 0.0668(3) 0.2500 0.013(3) Uani 1 2 d S . . Sb2 Sb 0.03873(10) 0.3894(3) 0.7500 0.016(3) Uani 1 2 d S . . S1 S 0.1941(4) 0.2685(12) 0.7500 0.0123(12) Uiso 1 2 d S . . S2 S 0.4203(4) 0.1814(12) 0.2500 0.0148(12) Uiso 1 2 d S . . S3 S 0.2221(4) 0.4937(12) 0.2500 0.0129(12) Uiso 1 2 d S . . S4 S 0.4511(4) 0.4043(12) 0.7500 0.0145(12) Uiso 1 2 d S . . 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 Fe 0.0145(13) 0.020(18) 0.0146(13) 0.000 0.000 -0.001(3) Sb1 0.0189(7) 0.007(9) 0.0133(7) 0.000 0.000 -0.0031(14) Sb2 0.0147(7) 0.022(9) 0.0096(7) 0.000 0.000 -0.0010(12) _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 Fe S2 2.423(18) . ? Fe S3 2.465(18) . ? Fe S1 2.500(8) 1_554 ? Fe S1 2.500(8) . ? Fe S4 2.602(8) . ? Fe S4 2.602(8) 1_554 ? Fe Sb2 3.733(3) 1_554 ? Fe Sb2 3.733(3) . ? Fe Fe 3.7483(4) 1_556 ? Fe Fe 3.7483(4) 1_554 ? Fe Sb1 3.770(8) 7_666 ? Fe Sb1 3.770(8) 7_665 ? Fe Sb1 3.942(5) 3 ? Fe Sb1 4.197(9) . ? Fe Sb2 4.410(7) 3 ? Fe Sb2 4.410(7) 3_556 ? Fe S2 4.463(10) 1_554 ? Fe S2 4.463(10) 1_556 ? Fe S2 4.476(5) 3_455 ? Fe S3 4.486(10) 1_556 ? Fe S3 4.486(10) 1_554 ? Fe S4 4.488(16) 5_666 ? Fe S1 4.865(7) 3_556 ? Fe S1 4.865(7) 3 ? Fe S3 5.112(19) 7_655 ? Fe S3 5.112(19) 7_656 ? Fe Sb1 5.440(3) 3_556 ? Fe Sb1 5.440(3) 3_554 ? Fe Sb2 5.558(7) 5_566 ? Fe S4 5.613(12) 3_455 ? Fe S4 5.613(12) 3_456 ? Fe Sb1 5.627(7) 1_554 ? Fe Sb1 5.627(7) 1_556 ? Fe S2 5.835(17) 7_666 ? Fe S2 5.835(17) 7_665 ? Fe S2 5.838(4) 3_454 ? Sb1 S4 2.504(16) 7_655 ? Sb1 S3 2.613(7) 7_656 ? Sb1 S3 2.613(7) 7_655 ? Sb1 S4 2.900(4) 3_455 ? Sb1 S4 2.900(4) 3_456 ? Sb1 S1 3.422(14) . ? Sb1 S1 3.422(14) 1_554 ? Sb1 S2 3.501(9) . ? Sb1 Sb1 3.7483(4) 1_556 ? Sb1 Sb1 3.7483(4) 1_554 ? Sb1 Fe 3.770(8) 7_655 ? Sb1 Fe 3.770(8) 7_656 ? Sb1 Fe 3.942(5) 3_455 ? Sb1 Sb1 4.187(4) 5 ? Sb1 Sb1 4.187(4) 5_556 ? Sb1 S2 4.318(14) 3_455 ? Sb1 Sb2 4.348(4) 7_655 ? Sb1 S4 4.508(9) 7_654 ? Sb1 S4 4.508(9) 7_656 ? Sb1 S1 4.535(16) 7_655 ? Sb1 S3 4.833(6) 3_455 ? Sb1 Sb2 4.8687(17) 3_556 ? Sb1 Sb2 4.8687(17) 3 ? Sb1 Sb2 5.008(6) . ? Sb1 Sb2 5.008(6) 1_554 ? Sb1 S2 5.129(6) 1_556 ? Sb1 S2 5.129(6) 1_554 ? Sb1 Fe 5.440(3) 3_454 ? Sb1 Fe 5.440(3) 3_456 ? Sb1 Fe 5.627(7) 1_556 ? Sb1 Fe 5.627(7) 1_554 ? Sb1 S2 5.718(10) 3_456 ? Sb1 S2 5.718(10) 3_454 ? Sb1 S2 5.728(16) 7_655 ? Sb1 S2 5.728(16) 7_656 ? Sb2 S1 2.429(13) . ? Sb2 S2 2.504(7) 3_455 ? Sb2 S2 2.504(7) 3_456 ? Sb2 S3 3.146(9) 1_556 ? Sb2 S3 3.146(9) . ? Sb2 S3 3.363(9) 5_566 ? Sb2 Sb2 3.708(7) 5_567 ? Sb2 Sb2 3.708(7) 5_566 ? Sb2 Fe 3.733(3) 1_556 ? Sb2 Sb2 3.7483(4) 1_556 ? Sb2 Sb2 3.7483(4) 1_554 ? Sb2 S2 4.091(17) 7_666 ? Sb2 S4 4.205(17) 3_456 ? Sb2 Sb1 4.348(4) 7_666 ? Sb2 Fe 4.410(7) 3_455 ? Sb2 Fe 4.410(7) 3_456 ? Sb2 S1 4.466(10) 3_456 ? Sb2 S1 4.467(7) 1_556 ? Sb2 S1 4.467(7) 1_554 ? Sb2 S4 4.656(5) . ? Sb2 Sb1 4.8687(17) 3_455 ? Sb2 Sb1 4.8687(17) 3_456 ? Sb2 Sb1 5.008(6) 1_556 ? Sb2 S3 5.036(6) 5_565 ? Sb2 S3 5.036(6) 5_567 ? Sb2 S2 5.515(10) 1_556 ? Sb2 S2 5.515(10) . ? Sb2 S2 5.548(13) 7_667 ? Sb2 S2 5.548(13) 7_665 ? Sb2 Fe 5.558(7) 5_566 ? Sb2 S4 5.633(12) 3_455 ? Sb2 S4 5.633(12) 3_457 ? Sb2 Sb1 5.740(3) 7_667 ? Sb2 Sb1 5.740(3) 7_665 ? S1 Fe 2.500(8) 1_556 ? S1 Sb1 3.422(14) 1_556 ? S1 Sb2 4.466(10) 3_556 ? S1 Sb2 4.467(7) 1_556 ? S1 Sb2 4.467(7) 1_554 ? S1 Sb1 4.535(16) 7_666 ? S1 Fe 4.865(7) 3_455 ? S1 Fe 4.865(7) 3_456 ? S1 Sb2 5.751(15) 5_567 ? S2 Sb2 2.504(7) 3_556 ? S2 Sb2 2.504(7) 3 ? S2 Sb2 4.091(17) 7_655 ? S2 Sb1 4.318(14) 3 ? S2 Fe 4.463(10) 1_556 ? S2 Fe 4.463(10) 1_554 ? S2 Fe 4.476(5) 3 ? S2 Sb1 5.129(6) 1_554 ? S2 Sb1 5.129(6) 1_556 ? S2 Sb2 5.515(10) 1_554 ? S3 Sb1 2.613(7) 7_666 ? S3 Sb1 2.613(7) 7_665 ? S3 Sb2 3.146(9) 1_554 ? S3 Sb2 3.363(9) 5_566 ? S3 Fe 4.486(10) 1_554 ? S3 Fe 4.486(10) 1_556 ? S3 Sb1 4.833(6) 3 ? S3 Sb2 5.036(6) 5_565 ? S3 Sb2 5.036(6) 5_567 ? S3 Fe 5.112(19) 7_666 ? S4 Sb1 2.504(16) 7_666 ? S4 Fe 2.602(8) 1_556 ? S4 Sb1 2.900(4) 3_556 ? S4 Sb1 2.900(4) 3 ? S4 Sb2 4.205(17) 3_556 ? S4 Fe 4.488(16) 5_666 ? S4 Sb1 4.508(9) 7_667 ? S4 Sb1 4.508(9) 7_665 ? S4 Fe 5.613(12) 3_556 ? S4 Fe 5.613(12) 3 ? 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 S2 Fe S3 176.8(4) . . ? S2 Fe S1 87.0(5) . 1_554 ? S3 Fe S1 95.1(4) . 1_554 ? S2 Fe S1 87.0(5) . . ? S3 Fe S1 95.1(4) . . ? S1 Fe S1 97.1(4) 1_554 . ? S2 Fe S4 92.8(3) . . ? S3 Fe S4 85.0(4) . . ? S1 Fe S4 177.5(2) 1_554 . ? S1 Fe S4 85.4(2) . . ? S2 Fe S4 92.8(3) . 1_554 ? S3 Fe S4 85.0(4) . 1_554 ? S1 Fe S4 85.4(2) 1_554 1_554 ? S1 Fe S4 177.5(2) . 1_554 ? S4 Fe S4 92.2(4) . 1_554 ? S2 Fe Sb2 125.9(3) . 1_554 ? S3 Fe Sb2 56.66(18) . 1_554 ? S1 Fe Sb2 40.1(3) 1_554 1_554 ? S1 Fe Sb2 89.27(14) . 1_554 ? S4 Fe Sb2 140.6(4) . 1_554 ? S4 Fe Sb2 92.87(16) 1_554 1_554 ? S2 Fe Sb2 125.9(3) . . ? S3 Fe Sb2 56.66(18) . . ? S1 Fe Sb2 89.27(14) 1_554 . ? S1 Fe Sb2 40.1(3) . . ? S4 Fe Sb2 92.87(16) . . ? S4 Fe Sb2 140.6(4) 1_554 . ? Sb2 Fe Sb2 60.27(6) 1_554 . ? S2 Fe Fe 90.0 . 1_556 ? S3 Fe Fe 90.0 . 1_556 ? S1 Fe Fe 138.6(2) 1_554 1_556 ? S1 Fe Fe 41.4(2) . 1_556 ? S4 Fe Fe 43.92(18) . 1_556 ? S4 Fe Fe 136.08(18) 1_554 1_556 ? Sb2 Fe Fe 120.13(3) 1_554 1_556 ? Sb2 Fe Fe 59.87(3) . 1_556 ? S2 Fe Fe 90.0 . 1_554 ? S3 Fe Fe 90.0 . 1_554 ? S1 Fe Fe 41.4(2) 1_554 1_554 ? S1 Fe Fe 138.6(2) . 1_554 ? S4 Fe Fe 136.08(18) . 1_554 ? S4 Fe Fe 43.92(18) 1_554 1_554 ? Sb2 Fe Fe 59.87(3) 1_554 1_554 ? Sb2 Fe Fe 120.13(3) . 1_554 ? Fe Fe Fe 180.00(17) 1_556 1_554 ? S2 Fe Sb1 134.13(18) . 7_666 ? S3 Fe Sb1 43.59(19) . 7_666 ? S1 Fe Sb1 138.6(4) 1_554 7_666 ? S1 Fe Sb1 90.3(4) . 7_666 ? S4 Fe Sb1 41.4(4) . 7_666 ? S4 Fe Sb1 88.1(4) 1_554 7_666 ? Sb2 Fe Sb1 99.82(19) 1_554 7_666 ? Sb2 Fe Sb1 70.82(12) . 7_666 ? Fe Fe Sb1 60.19(7) 1_556 7_666 ? Fe Fe Sb1 119.81(7) 1_554 7_666 ? S2 Fe Sb1 134.13(18) . 7_665 ? S3 Fe Sb1 43.59(19) . 7_665 ? S1 Fe Sb1 90.3(4) 1_554 7_665 ? S1 Fe Sb1 138.6(4) . 7_665 ? S4 Fe Sb1 88.1(4) . 7_665 ? S4 Fe Sb1 41.4(4) 1_554 7_665 ? Sb2 Fe Sb1 70.82(12) 1_554 7_665 ? Sb2 Fe Sb1 99.82(19) . 7_665 ? Fe Fe Sb1 119.81(7) 1_556 7_665 ? Fe Fe Sb1 60.19(7) 1_554 7_665 ? Sb1 Fe Sb1 59.61(15) 7_666 7_665 ? S2 Fe Sb1 81.7(2) . 3 ? S3 Fe Sb1 95.1(3) . 3 ? S1 Fe Sb1 130.19(12) 1_554 3 ? S1 Fe Sb1 130.19(12) . 3 ? S4 Fe Sb1 47.34(11) . 3 ? S4 Fe Sb1 47.34(11) 1_554 3 ? Sb2 Fe Sb1 135.6(2) 1_554 3 ? Sb2 Fe Sb1 135.6(2) . 3 ? Fe Fe Sb1 90.0 1_556 3 ? Fe Fe Sb1 90.0 1_554 3 ? Sb1 Fe Sb1 65.71(13) 7_666 3 ? Sb1 Fe Sb1 65.71(13) 7_665 3 ? S2 Fe Sb1 56.5(3) . . ? S3 Fe Sb1 126.7(2) . . ? S1 Fe Sb1 54.6(4) 1_554 . ? S1 Fe Sb1 54.6(4) . . ? S4 Fe Sb1 127.1(4) . . ? S4 Fe Sb1 127.1(4) 1_554 . ? Sb2 Fe Sb1 78.09(12) 1_554 . ? Sb2 Fe Sb1 78.09(12) . . ? Fe Fe Sb1 90.0 1_556 . ? Fe Fe Sb1 90.0 1_554 . ? Sb1 Fe Sb1 144.70(5) 7_666 . ? Sb1 Fe Sb1 144.70(5) 7_665 . ? Sb1 Fe Sb1 138.1(2) 3 . ? S2 Fe Sb2 26.95(8) . 3 ? S3 Fe Sb2 151.78(15) . 3 ? S1 Fe Sb2 74.9(3) 1_554 3 ? S1 Fe Sb2 112.1(5) . 3 ? S4 Fe Sb2 103.9(3) . 3 ? S4 Fe Sb2 68.2(4) 1_554 3 ? Sb2 Fe Sb2 114.17(11) 1_554 3 ? Sb2 Fe Sb2 146.7(2) . 3 ? Fe Fe Sb2 115.15(5) 1_556 3 ? Fe Fe Sb2 64.85(5) 1_554 3 ? Sb1 Fe Sb2 138.62(9) 7_666 3 ? Sb1 Fe Sb2 109.14(7) 7_665 3 ? Sb1 Fe Sb2 73.44(9) 3 3 ? Sb1 Fe Sb2 68.85(14) . 3 ? S2 Fe Sb2 26.95(8) . 3_556 ? S3 Fe Sb2 151.78(15) . 3_556 ? S1 Fe Sb2 112.1(5) 1_554 3_556 ? S1 Fe Sb2 74.9(3) . 3_556 ? S4 Fe Sb2 68.2(4) . 3_556 ? S4 Fe Sb2 103.9(3) 1_554 3_556 ? Sb2 Fe Sb2 146.7(2) 1_554 3_556 ? Sb2 Fe Sb2 114.17(11) . 3_556 ? Fe Fe Sb2 64.85(5) 1_556 3_556 ? Fe Fe Sb2 115.15(5) 1_554 3_556 ? Sb1 Fe Sb2 109.14(7) 7_666 3_556 ? Sb1 Fe Sb2 138.62(9) 7_665 3_556 ? Sb1 Fe Sb2 73.44(9) 3 3_556 ? Sb1 Fe Sb2 68.85(14) . 3_556 ? Sb2 Fe Sb2 50.29(9) 3 3_556 ? S2 Fe S2 57.12(19) . 1_554 ? S3 Fe S2 122.8(2) . 1_554 ? S1 Fe S2 48.88(18) 1_554 1_554 ? S1 Fe S2 127.0(5) . 1_554 ? S4 Fe S2 129.13(17) . 1_554 ? S4 Fe S2 54.6(3) 1_554 1_554 ? Sb2 Fe S2 84.07(9) 1_554 1_554 ? Sb2 Fe S2 137.73(14) . 1_554 ? Fe Fe S2 147.12(19) 1_556 1_554 ? Fe Fe S2 32.88(19) 1_554 1_554 ? Sb1 Fe S2 142.7(2) 7_666 1_554 ? Sb1 Fe S2 87.7(2) 7_665 1_554 ? Sb1 Fe S2 85.48(11) 3 1_554 ? Sb1 Fe S2 72.6(2) . 1_554 ? Sb2 Fe S2 32.77(14) 3 1_554 ? Sb2 Fe S2 82.7(2) 3_556 1_554 ? S2 Fe S2 57.12(19) . 1_556 ? S3 Fe S2 122.8(2) . 1_556 ? S1 Fe S2 127.0(5) 1_554 1_556 ? S1 Fe S2 48.88(18) . 1_556 ? S4 Fe S2 54.6(3) . 1_556 ? S4 Fe S2 129.13(17) 1_554 1_556 ? Sb2 Fe S2 137.73(14) 1_554 1_556 ? Sb2 Fe S2 84.07(9) . 1_556 ? Fe Fe S2 32.88(19) 1_556 1_556 ? Fe Fe S2 147.12(19) 1_554 1_556 ? Sb1 Fe S2 87.7(2) 7_666 1_556 ? Sb1 Fe S2 142.7(2) 7_665 1_556 ? Sb1 Fe S2 85.48(11) 3 1_556 ? Sb1 Fe S2 72.6(2) . 1_556 ? Sb2 Fe S2 82.7(2) 3 1_556 ? Sb2 Fe S2 32.77(14) 3_556 1_556 ? S2 Fe S2 114.2(4) 1_554 1_556 ? S2 Fe S2 116.1(2) . 3_455 ? S3 Fe S2 67.1(3) . 3_455 ? S1 Fe S2 55.27(15) 1_554 3_455 ? S1 Fe S2 55.27(15) . 3_455 ? S4 Fe S2 126.88(17) . 3_455 ? S4 Fe S2 126.88(17) 1_554 3_455 ? Sb2 Fe S2 34.01(10) 1_554 3_455 ? Sb2 Fe S2 34.01(10) . 3_455 ? Fe Fe S2 90.0 1_556 3_455 ? Fe Fe S2 90.0 1_554 3_455 ? Sb1 Fe S2 99.1(2) 7_666 3_455 ? Sb1 Fe S2 99.1(2) 7_665 3_455 ? Sb1 Fe S2 162.2(3) 3 3_455 ? Sb1 Fe S2 59.6(2) . 3_455 ? Sb2 Fe S2 122.3(2) 3 3_455 ? Sb2 Fe S2 122.3(2) 3_556 3_455 ? S2 Fe S2 103.82(11) 1_554 3_455 ? S2 Fe S2 103.82(11) 1_556 3_455 ? S2 Fe S3 123.28(19) . 1_556 ? S3 Fe S3 56.67(19) . 1_556 ? S1 Fe S3 132.5(2) 1_554 1_556 ? S1 Fe S3 54.7(4) . 1_556 ? S4 Fe S3 49.49(18) . 1_556 ? S4 Fe S3 123.6(5) 1_554 1_556 ? Sb2 Fe S3 96.74(14) 1_554 1_556 ? Sb2 Fe S3 43.82(9) . 1_556 ? Fe Fe S3 33.33(19) 1_556 1_556 ? Fe Fe S3 146.67(19) 1_554 1_556 ? Sb1 Fe S3 35.58(18) 7_666 1_556 ? Sb1 Fe S3 91.0(3) 7_665 1_556 ? Sb1 Fe S3 92.81(16) 3 1_556 ? Sb1 Fe S3 109.19(19) . 1_556 ? Sb2 Fe S3 147.06(16) 3 1_556 ? Sb2 Fe S3 97.42(15) 3_556 1_556 ? S2 Fe S3 178.2(3) 1_554 1_556 ? S2 Fe S3 66.2(2) 1_556 1_556 ? S2 Fe S3 77.66(13) 3_455 1_556 ? S2 Fe S3 123.28(19) . 1_554 ? S3 Fe S3 56.67(19) . 1_554 ? S1 Fe S3 54.7(4) 1_554 1_554 ? S1 Fe S3 132.5(2) . 1_554 ? S4 Fe S3 123.6(5) . 1_554 ? S4 Fe S3 49.49(18) 1_554 1_554 ? Sb2 Fe S3 43.82(9) 1_554 1_554 ? Sb2 Fe S3 96.74(14) . 1_554 ? Fe Fe S3 146.67(19) 1_556 1_554 ? Fe Fe S3 33.33(19) 1_554 1_554 ? Sb1 Fe S3 91.0(3) 7_666 1_554 ? Sb1 Fe S3 35.58(18) 7_665 1_554 ? Sb1 Fe S3 92.81(16) 3 1_554 ? Sb1 Fe S3 109.19(19) . 1_554 ? Sb2 Fe S3 97.42(15) 3 1_554 ? Sb2 Fe S3 147.06(16) 3_556 1_554 ? S2 Fe S3 66.2(2) 1_554 1_554 ? S2 Fe S3 178.2(3) 1_556 1_554 ? S2 Fe S3 77.66(13) 3_455 1_554 ? S3 Fe S3 113.3(4) 1_556 1_554 ? S2 Fe S4 115.4(3) . 5_666 ? S3 Fe S4 61.3(3) . 5_666 ? S1 Fe S4 128.2(4) 1_554 5_666 ? S1 Fe S4 128.2(4) . 5_666 ? S4 Fe S4 49.8(3) . 5_666 ? S4 Fe S4 49.8(3) 1_554 5_666 ? Sb2 Fe S4 108.8(2) 1_554 5_666 ? Sb2 Fe S4 108.8(2) . 5_666 ? Fe Fe S4 90.0 1_556 5_666 ? Fe Fe S4 90.0 1_554 5_666 ? Sb1 Fe S4 39.94(12) 7_666 5_666 ? Sb1 Fe S4 39.94(12) 7_665 5_666 ? Sb1 Fe S4 33.78(16) 3 5_666 ? Sb1 Fe S4 171.9(2) . 5_666 ? Sb2 Fe S4 103.93(14) 3 5_666 ? Sb2 Fe S4 103.93(14) 3_556 5_666 ? S2 Fe S4 103.5(2) 1_554 5_666 ? S2 Fe S4 103.5(2) 1_556 5_666 ? S2 Fe S4 128.5(3) 3_455 5_666 ? S3 Fe S4 74.7(2) 1_556 5_666 ? S3 Fe S4 74.7(2) 1_554 5_666 ? S2 Fe S1 47.2(3) . 3_556 ? S3 Fe S1 130.0(3) . 3_556 ? S1 Fe S1 131.7(3) 1_554 3_556 ? S1 Fe S1 95.07(14) . 3_556 ? S4 Fe S1 47.4(3) . 3_556 ? S4 Fe S1 82.97(18) 1_554 3_556 ? Sb2 Fe S1 171.43(19) 1_554 3_556 ? Sb2 Fe S1 127.02(4) . 3_556 ? Fe Fe S1 67.34(4) 1_556 3_556 ? Fe Fe S1 112.66(4) 1_554 3_556 ? Sb1 Fe S1 87.57(19) 7_666 3_556 ? Sb1 Fe S1 109.91(19) 7_665 3_556 ? Sb1 Fe S1 44.20(17) 3 3_556 ? Sb1 Fe S1 98.4(2) . 3_556 ? Sb2 Fe S1 57.32(15) 3 3_556 ? Sb2 Fe S1 29.85(19) 3_556 3_556 ? S2 Fe S1 87.41(15) 1_554 3_556 ? S2 Fe S1 46.20(10) 1_556 3_556 ? S2 Fe S1 149.3(2) 3_455 3_556 ? S3 Fe S1 91.80(14) 1_556 3_556 ? S3 Fe S1 132.46(12) 1_554 3_556 ? S4 Fe S1 74.2(2) 5_666 3_556 ? S2 Fe S1 47.2(3) . 3 ? S3 Fe S1 130.0(3) . 3 ? S1 Fe S1 95.07(14) 1_554 3 ? S1 Fe S1 131.7(3) . 3 ? S4 Fe S1 82.97(18) . 3 ? S4 Fe S1 47.4(3) 1_554 3 ? Sb2 Fe S1 127.02(4) 1_554 3 ? Sb2 Fe S1 171.43(19) . 3 ? Fe Fe S1 112.66(4) 1_556 3 ? Fe Fe S1 67.34(4) 1_554 3 ? Sb1 Fe S1 109.91(19) 7_666 3 ? Sb1 Fe S1 87.57(19) 7_665 3 ? Sb1 Fe S1 44.20(17) 3 3 ? Sb1 Fe S1 98.4(2) . 3 ? Sb2 Fe S1 29.85(19) 3 3 ? Sb2 Fe S1 57.32(15) 3_556 3 ? S2 Fe S1 46.20(10) 1_554 3 ? S2 Fe S1 87.41(15) 1_556 3 ? S2 Fe S1 149.3(2) 3_455 3 ? S3 Fe S1 132.46(12) 1_556 3 ? S3 Fe S1 91.80(14) 1_554 3 ? S4 Fe S1 74.2(2) 5_666 3 ? S1 Fe S1 45.31(7) 3_556 3 ? S2 Fe S3 39.6(2) . 7_655 ? S3 Fe S3 142.97(12) . 7_655 ? S1 Fe S3 48.8(4) 1_554 7_655 ? S1 Fe S3 83.7(4) . 7_655 ? S4 Fe S3 131.5(4) . 7_655 ? S4 Fe S3 97.7(4) 1_554 7_655 ? Sb2 Fe S3 86.31(14) 1_554 7_655 ? Sb2 Fe S3 107.68(16) . 7_655 ? Fe Fe S3 111.51(8) 1_556 7_655 ? Fe Fe S3 68.49(8) 1_554 7_655 ? Sb1 Fe S3 171.40(14) 7_666 7_655 ? Sb1 Fe S3 128.63(8) 7_665 7_655 ? Sb1 Fe S3 113.87(16) 3 7_655 ? Sb1 Fe S3 30.64(8) . 7_655 ? Sb2 Fe S3 40.52(10) 3 7_655 ? Sb2 Fe S3 63.35(15) 3_556 7_655 ? S2 Fe S3 43.4(2) 1_554 7_655 ? S2 Fe S3 83.7(3) 1_556 7_655 ? S2 Fe S3 82.5(2) 3_455 7_655 ? S3 Fe S3 138.2(3) 1_556 7_655 ? S3 Fe S3 97.61(14) 1_554 7_655 ? S4 Fe S3 143.34(14) 5_666 7_655 ? S1 Fe S3 86.8(2) 3_556 7_655 ? S1 Fe S3 70.2(2) 3 7_655 ? S2 Fe S3 39.6(2) . 7_656 ? S3 Fe S3 142.97(12) . 7_656 ? S1 Fe S3 83.7(4) 1_554 7_656 ? S1 Fe S3 48.8(4) . 7_656 ? S4 Fe S3 97.7(4) . 7_656 ? S4 Fe S3 131.5(4) 1_554 7_656 ? Sb2 Fe S3 107.68(16) 1_554 7_656 ? Sb2 Fe S3 86.31(14) . 7_656 ? Fe Fe S3 68.49(8) 1_556 7_656 ? Fe Fe S3 111.51(8) 1_554 7_656 ? Sb1 Fe S3 128.63(8) 7_666 7_656 ? Sb1 Fe S3 171.40(14) 7_665 7_656 ? Sb1 Fe S3 113.87(16) 3 7_656 ? Sb1 Fe S3 30.64(8) . 7_656 ? Sb2 Fe S3 63.35(15) 3 7_656 ? Sb2 Fe S3 40.52(10) 3_556 7_656 ? S2 Fe S3 83.7(3) 1_554 7_656 ? S2 Fe S3 43.4(2) 1_556 7_656 ? S2 Fe S3 82.5(2) 3_455 7_656 ? S3 Fe S3 97.61(14) 1_556 7_656 ? S3 Fe S3 138.2(3) 1_554 7_656 ? S4 Fe S3 143.34(14) 5_666 7_656 ? S1 Fe S3 70.2(2) 3_556 7_656 ? S1 Fe S3 86.8(2) 3 7_656 ? S3 Fe S3 43.01(16) 7_655 7_656 ? S2 Fe Sb1 83.96(17) . 3_556 ? S3 Fe Sb1 93.7(2) . 3_556 ? S1 Fe Sb1 169.8(3) 1_554 3_556 ? S1 Fe Sb1 87.21(14) . 3_556 ? S4 Fe Sb1 9.1(3) . 3_556 ? S4 Fe Sb1 90.29(16) 1_554 3_556 ? Sb2 Fe Sb1 149.7(2) 1_554 3_556 ? Sb2 Fe Sb1 99.88(7) . 3_556 ? Fe Fe Sb1 46.45(3) 1_556 3_556 ? Fe Fe Sb1 133.55(3) 1_554 3_556 ? Sb1 Fe Sb1 50.16(8) 7_666 3_556 ? Sb1 Fe Sb1 92.54(13) 7_665 3_556 ? Sb1 Fe Sb1 43.55(3) 3 3_556 ? Sb1 Fe Sb1 122.67(13) . 3_556 ? Sb2 Fe Sb1 94.95(8) 3 3_556 ? Sb2 Fe Sb1 60.04(7) 3_556 3_556 ? S2 Fe Sb1 121.43(9) 1_554 3_556 ? S2 Fe Sb1 50.53(16) 1_556 3_556 ? S2 Fe Sb1 133.64(8) 3_455 3_556 ? S3 Fe Sb1 57.30(8) 1_556 3_556 ? S3 Fe Sb1 127.7(2) 1_554 3_556 ? S4 Fe Sb1 52.96(10) 5_666 3_556 ? S1 Fe Sb1 38.28(16) 3_556 3_556 ? S1 Fe Sb1 75.28(8) 3 3_556 ? S3 Fe Sb1 123.09(16) 7_655 3_556 ? S3 Fe Sb1 92.33(10) 7_656 3_556 ? S2 Fe Sb1 83.96(17) . 3_554 ? S3 Fe Sb1 93.7(2) . 3_554 ? S1 Fe Sb1 87.21(14) 1_554 3_554 ? S1 Fe Sb1 169.8(3) . 3_554 ? S4 Fe Sb1 90.29(16) . 3_554 ? S4 Fe Sb1 9.1(3) 1_554 3_554 ? Sb2 Fe Sb1 99.88(7) 1_554 3_554 ? Sb2 Fe Sb1 149.7(2) . 3_554 ? Fe Fe Sb1 133.55(3) 1_556 3_554 ? Fe Fe Sb1 46.45(3) 1_554 3_554 ? Sb1 Fe Sb1 92.54(13) 7_666 3_554 ? Sb1 Fe Sb1 50.16(8) 7_665 3_554 ? Sb1 Fe Sb1 43.55(3) 3 3_554 ? Sb1 Fe Sb1 122.67(13) . 3_554 ? Sb2 Fe Sb1 60.04(7) 3 3_554 ? Sb2 Fe Sb1 94.95(8) 3_556 3_554 ? S2 Fe Sb1 50.53(16) 1_554 3_554 ? S2 Fe Sb1 121.43(9) 1_556 3_554 ? S2 Fe Sb1 133.64(8) 3_455 3_554 ? S3 Fe Sb1 127.7(2) 1_556 3_554 ? S3 Fe Sb1 57.30(8) 1_554 3_554 ? S4 Fe Sb1 52.96(10) 5_666 3_554 ? S1 Fe Sb1 75.28(8) 3_556 3_554 ? S1 Fe Sb1 38.28(16) 3 3_554 ? S3 Fe Sb1 92.33(10) 7_655 3_554 ? S3 Fe Sb1 123.09(16) 7_656 3_554 ? Sb1 Fe Sb1 87.11(7) 3_556 3_554 ? S2 Fe Sb2 162.7(3) . 5_566 ? S3 Fe Sb2 20.5(2) . 5_566 ? S1 Fe Sb2 81.6(3) 1_554 5_566 ? S1 Fe Sb2 81.6(3) . 5_566 ? S4 Fe Sb2 99.2(4) . 5_566 ? S4 Fe Sb2 99.2(4) 1_554 5_566 ? Sb2 Fe Sb2 41.50(10) 1_554 5_566 ? Sb2 Fe Sb2 41.50(10) . 5_566 ? Fe Fe Sb2 90.0 1_556 5_566 ? Fe Fe Sb2 90.0 1_554 5_566 ? Sb1 Fe Sb2 59.29(10) 7_666 5_566 ? Sb1 Fe Sb2 59.29(10) 7_665 5_566 ? Sb1 Fe Sb2 115.6(2) 3 5_566 ? Sb1 Fe Sb2 106.20(7) . 5_566 ? Sb2 Fe Sb2 153.88(2) 3 5_566 ? Sb2 Fe Sb2 153.88(2) 3_556 5_566 ? S2 Fe Sb2 121.22(13) 1_554 5_566 ? S2 Fe Sb2 121.22(13) 1_556 5_566 ? S2 Fe Sb2 46.6(2) 3_455 5_566 ? S3 Fe Sb2 59.03(15) 1_556 5_566 ? S3 Fe Sb2 59.03(15) 1_554 5_566 ? S4 Fe Sb2 81.9(2) 5_666 5_566 ? S1 Fe Sb2 146.5(2) 3_556 5_566 ? S1 Fe Sb2 146.5(2) 3 5_566 ? S3 Fe Sb2 125.45(9) 7_655 5_566 ? S3 Fe Sb2 125.45(9) 7_656 5_566 ? Sb1 Fe Sb2 108.28(14) 3_556 5_566 ? Sb1 Fe Sb2 108.28(14) 3_554 5_566 ? S2 Fe S4 80.6(3) . 3_455 ? S3 Fe S4 102.4(2) . 3_455 ? S1 Fe S4 29.4(3) 1_554 3_455 ? S1 Fe S4 68.2(2) . 3_455 ? S4 Fe S4 153.0(2) . 3_455 ? S4 Fe S4 114.2(2) 1_554 3_455 ? Sb2 Fe S4 48.52(16) 1_554 3_455 ? Sb2 Fe S4 70.91(11) . 3_455 ? Fe Fe S4 109.51(4) 1_556 3_455 ? Fe Fe S4 70.49(4) 1_554 3_455 ? Sb1 Fe S4 139.48(15) 7_666 3_455 ? Sb1 Fe S4 115.35(12) 7_665 3_455 ? Sb1 Fe S4 153.50(15) 3 3_455 ? Sb1 Fe S4 30.22(13) . 3_455 ? Sb2 Fe S4 81.90(16) 3 3_455 ? Sb2 Fe S4 98.2(2) 3_556 3_455 ? S2 Fe S4 68.36(15) 1_554 3_455 ? S2 Fe S4 101.1(2) 1_556 3_455 ? S2 Fe S4 40.36(19) 3_455 3_455 ? S3 Fe S4 113.40(13) 1_556 3_455 ? S3 Fe S4 80.74(19) 1_554 3_455 ? S4 Fe S4 155.3(2) 5_666 3_455 ? S1 Fe S4 126.7(3) 3_556 3_455 ? S1 Fe S4 109.9(2) 3 3_455 ? S3 Fe S4 42.90(15) 7_655 3_455 ? S3 Fe S4 60.81(16) 7_656 3_455 ? Sb1 Fe S4 151.48(16) 3_556 3_455 ? Sb1 Fe S4 114.74(6) 3_554 3_455 ? Sb2 Fe S4 83.07(14) 5_566 3_455 ? S2 Fe S4 80.6(3) . 3_456 ? S3 Fe S4 102.4(2) . 3_456 ? S1 Fe S4 68.2(2) 1_554 3_456 ? S1 Fe S4 29.4(3) . 3_456 ? S4 Fe S4 114.2(2) . 3_456 ? S4 Fe S4 153.0(2) 1_554 3_456 ? Sb2 Fe S4 70.91(11) 1_554 3_456 ? Sb2 Fe S4 48.52(16) . 3_456 ? Fe Fe S4 70.49(4) 1_556 3_456 ? Fe Fe S4 109.51(4) 1_554 3_456 ? Sb1 Fe S4 115.35(12) 7_666 3_456 ? Sb1 Fe S4 139.48(15) 7_665 3_456 ? Sb1 Fe S4 153.50(15) 3 3_456 ? Sb1 Fe S4 30.22(13) . 3_456 ? Sb2 Fe S4 98.2(2) 3 3_456 ? Sb2 Fe S4 81.90(16) 3_556 3_456 ? S2 Fe S4 101.1(2) 1_554 3_456 ? S2 Fe S4 68.36(15) 1_556 3_456 ? S2 Fe S4 40.36(19) 3_455 3_456 ? S3 Fe S4 80.74(19) 1_556 3_456 ? S3 Fe S4 113.40(13) 1_554 3_456 ? S4 Fe S4 155.3(2) 5_666 3_456 ? S1 Fe S4 109.9(2) 3_556 3_456 ? S1 Fe S4 126.7(3) 3 3_456 ? S3 Fe S4 60.81(16) 7_655 3_456 ? S3 Fe S4 42.90(15) 7_656 3_456 ? Sb1 Fe S4 114.74(6) 3_556 3_456 ? Sb1 Fe S4 151.48(16) 3_554 3_456 ? Sb2 Fe S4 83.07(14) 5_566 3_456 ? S4 Fe S4 39.01(9) 3_455 3_456 ? S2 Fe Sb1 65.7(2) . 1_554 ? S3 Fe Sb1 116.49(14) . 1_554 ? S1 Fe Sb1 21.4(4) 1_554 1_554 ? S1 Fe Sb1 93.9(3) . 1_554 ? S4 Fe Sb1 158.4(4) . 1_554 ? S4 Fe Sb1 88.3(3) 1_554 1_554 ? Sb2 Fe Sb1 60.77(10) 1_554 1_554 ? Sb2 Fe Sb1 100.40(10) . 1_554 ? Fe Fe Sb1 131.77(6) 1_556 1_554 ? Fe Fe Sb1 48.23(6) 1_554 1_554 ? Sb1 Fe Sb1 160.02(14) 7_666 1_554 ? Sb1 Fe Sb1 106.116(16) 7_665 1_554 ? Sb1 Fe Sb1 123.75(10) 3 1_554 ? Sb1 Fe Sb1 41.77(6) . 1_554 ? Sb2 Fe Sb1 56.48(8) 3 1_554 ? Sb2 Fe Sb1 90.80(15) 3_556 1_554 ? S2 Fe Sb1 38.47(13) 1_554 1_554 ? S2 Fe Sb1 109.6(3) 1_556 1_554 ? S2 Fe Sb1 67.84(15) 3_455 1_554 ? S3 Fe Sb1 143.29(14) 1_556 1_554 ? S3 Fe Sb1 71.86(19) 1_554 1_554 ? S4 Fe Sb1 137.60(5) 5_666 1_554 ? S1 Fe Sb1 111.5(2) 3_556 1_554 ? S1 Fe Sb1 81.52(15) 3 1_554 ? S3 Fe Sb1 27.64(8) 7_655 1_554 ? S3 Fe Sb1 66.58(13) 7_656 1_554 ? Sb1 Fe Sb1 149.50(15) 3_556 1_554 ? Sb1 Fe Sb1 86.77(6) 3_554 1_554 ? Sb2 Fe Sb1 102.01(5) 5_566 1_554 ? S4 Fe Sb1 29.90(7) 3_455 1_554 ? S4 Fe Sb1 65.04(11) 3_456 1_554 ? S2 Fe Sb1 65.7(2) . 1_556 ? S3 Fe Sb1 116.49(14) . 1_556 ? S1 Fe Sb1 93.9(3) 1_554 1_556 ? S1 Fe Sb1 21.4(4) . 1_556 ? S4 Fe Sb1 88.3(3) . 1_556 ? S4 Fe Sb1 158.4(4) 1_554 1_556 ? Sb2 Fe Sb1 100.40(10) 1_554 1_556 ? Sb2 Fe Sb1 60.77(10) . 1_556 ? Fe Fe Sb1 48.23(6) 1_556 1_556 ? Fe Fe Sb1 131.77(6) 1_554 1_556 ? Sb1 Fe Sb1 106.116(16) 7_666 1_556 ? Sb1 Fe Sb1 160.02(14) 7_665 1_556 ? Sb1 Fe Sb1 123.75(10) 3 1_556 ? Sb1 Fe Sb1 41.77(6) . 1_556 ? Sb2 Fe Sb1 90.80(15) 3 1_556 ? Sb2 Fe Sb1 56.48(8) 3_556 1_556 ? S2 Fe Sb1 109.6(3) 1_554 1_556 ? S2 Fe Sb1 38.47(13) 1_556 1_556 ? S2 Fe Sb1 67.84(15) 3_455 1_556 ? S3 Fe Sb1 71.86(19) 1_556 1_556 ? S3 Fe Sb1 143.29(14) 1_554 1_556 ? S4 Fe Sb1 137.60(5) 5_666 1_556 ? S1 Fe Sb1 81.52(15) 3_556 1_556 ? S1 Fe Sb1 111.5(2) 3 1_556 ? S3 Fe Sb1 66.58(13) 7_655 1_556 ? S3 Fe Sb1 27.64(8) 7_656 1_556 ? Sb1 Fe Sb1 86.77(6) 3_556 1_556 ? Sb1 Fe Sb1 149.50(15) 3_554 1_556 ? Sb2 Fe Sb1 102.01(5) 5_566 1_556 ? S4 Fe Sb1 65.04(11) 3_455 1_556 ? S4 Fe Sb1 29.90(7) 3_456 1_556 ? Sb1 Fe Sb1 83.54(12) 1_554 1_556 ? S2 Fe S2 161.27(6) . 7_666 ? S3 Fe S2 19.01(8) . 7_666 ? S1 Fe S2 106.8(3) 1_554 7_666 ? S1 Fe S2 78.9(4) . 7_666 ? S4 Fe S2 74.0(3) . 7_666 ? S4 Fe S2 100.8(4) 1_554 7_666 ? Sb2 Fe S2 66.74(12) 1_554 7_666 ? Sb2 Fe S2 44.16(14) . 7_666 ? Fe Fe S2 71.27(6) 1_556 7_666 ? Fe Fe S2 108.73(6) 1_554 7_666 ? Sb1 Fe S2 35.08(9) 7_666 7_666 ? Sb1 Fe S2 60.06(15) 7_665 7_666 ? Sb1 Fe S2 98.0(2) 3 7_666 ? Sb1 Fe S2 121.45(12) . 7_666 ? Sb2 Fe S2 168.78(19) 3 7_666 ? Sb2 Fe S2 135.07(5) 3_556 7_666 ? S2 Fe S2 141.6(2) 1_554 7_666 ? S2 Fe S2 104.15(14) 1_556 7_666 ? S2 Fe S2 65.3(3) 3_455 7_666 ? S3 Fe S2 38.01(18) 1_556 7_666 ? S3 Fe S2 75.5(2) 1_554 7_666 ? S4 Fe S2 66.07(19) 5_666 7_666 ? S1 Fe S2 121.34(19) 3_556 7_666 ? S1 Fe S2 140.1(3) 3 7_666 ? S3 Fe S2 147.82(13) 7_655 7_666 ? S3 Fe S2 127.66(13) 7_656 7_666 ? Sb1 Fe S2 83.06(11) 3_556 7_666 ? Sb1 Fe S2 108.77(19) 3_554 7_666 ? Sb2 Fe S2 25.24(6) 5_566 7_666 ? S4 Fe S2 105.09(16) 3_455 7_666 ? S4 Fe S2 92.63(18) 3_456 7_666 ? Sb1 Fe S2 127.09(8) 1_554 7_666 ? Sb1 Fe S2 100.09(10) 1_556 7_666 ? S2 Fe S2 161.27(6) . 7_665 ? S3 Fe S2 19.01(8) . 7_665 ? S1 Fe S2 78.9(4) 1_554 7_665 ? S1 Fe S2 106.8(3) . 7_665 ? S4 Fe S2 100.8(4) . 7_665 ? S4 Fe S2 74.0(3) 1_554 7_665 ? Sb2 Fe S2 44.16(14) 1_554 7_665 ? Sb2 Fe S2 66.74(12) . 7_665 ? Fe Fe S2 108.73(6) 1_556 7_665 ? Fe Fe S2 71.27(6) 1_554 7_665 ? Sb1 Fe S2 60.06(15) 7_666 7_665 ? Sb1 Fe S2 35.08(9) 7_665 7_665 ? Sb1 Fe S2 98.0(2) 3 7_665 ? Sb1 Fe S2 121.45(12) . 7_665 ? Sb2 Fe S2 135.07(5) 3 7_665 ? Sb2 Fe S2 168.78(19) 3_556 7_665 ? S2 Fe S2 104.15(14) 1_554 7_665 ? S2 Fe S2 141.6(2) 1_556 7_665 ? S2 Fe S2 65.3(3) 3_455 7_665 ? S3 Fe S2 75.5(2) 1_556 7_665 ? S3 Fe S2 38.01(18) 1_554 7_665 ? S4 Fe S2 66.07(19) 5_666 7_665 ? S1 Fe S2 140.1(3) 3_556 7_665 ? S1 Fe S2 121.34(19) 3 7_665 ? S3 Fe S2 127.66(13) 7_655 7_665 ? S3 Fe S2 147.82(13) 7_656 7_665 ? Sb1 Fe S2 108.77(19) 3_556 7_665 ? Sb1 Fe S2 83.06(11) 3_554 7_665 ? Sb2 Fe S2 25.24(6) 5_566 7_665 ? S4 Fe S2 92.63(18) 3_455 7_665 ? S4 Fe S2 105.09(16) 3_456 7_665 ? Sb1 Fe S2 100.09(10) 1_554 7_665 ? Sb1 Fe S2 127.09(8) 1_556 7_665 ? S2 Fe S2 37.47(11) 7_666 7_665 ? S2 Fe S2 109.72(18) . 3_454 ? S3 Fe S2 72.66(19) . 3_454 ? S1 Fe S2 23.4(3) 1_554 3_454 ? S1 Fe S2 92.55(13) . 3_454 ? S4 Fe S2 157.3(4) . 3_454 ? S4 Fe S2 89.87(11) 1_554 3_454 ? Sb2 Fe S2 16.70(15) 1_554 3_454 ? Sb2 Fe S2 71.75(6) . 3_454 ? Fe Fe S2 129.95(3) 1_556 3_454 ? Fe Fe S2 50.05(3) 1_554 3_454 ? Sb1 Fe S2 116.2(2) 7_666 3_454 ? Sb1 Fe S2 78.60(15) 7_665 3_454 ? Sb1 Fe S2 136.89(11) 3 3_454 ? Sb1 Fe S2 67.18(15) . 3_454 ? Sb2 Fe S2 97.83(13) 3 3_454 ? Sb2 Fe S2 133.0(2) 3_556 3_454 ? S2 Fe S2 69.15(11) 1_554 3_454 ? S2 Fe S2 136.25(15) 1_556 3_454 ? S2 Fe S2 39.95(3) 3_455 3_454 ? S3 Fe S2 111.88(13) 1_556 3_454 ? S3 Fe S2 45.55(16) 1_554 3_454 ? S4 Fe S2 118.5(2) 5_666 3_454 ? S1 Fe S2 155.0(2) 3_556 3_454 ? S1 Fe S2 114.33(8) 3 3_454 ? S3 Fe S2 70.43(16) 7_655 3_454 ? S3 Fe S2 97.81(18) 7_656 3_454 ? Sb1 Fe S2 166.3(2) 3_556 3_454 ? Sb1 Fe S2 94.97(5) 3_554 3_454 ? Sb2 Fe S2 58.21(14) 5_566 3_454 ? S4 Fe S2 37.01(18) 3_455 3_454 ? S4 Fe S2 68.30(11) 3_456 3_454 ? Sb1 Fe S2 44.20(15) 1_554 3_454 ? Sb1 Fe S2 97.96(12) 1_556 3_454 ? S2 Fe S2 83.44(17) 7_666 3_454 ? S2 Fe S2 58.2(3) 7_665 3_454 ? S4 Sb1 S3 84.0(4) 7_655 7_656 ? S4 Sb1 S3 84.0(4) 7_655 7_655 ? S3 Sb1 S3 91.7(3) 7_656 7_655 ? S4 Sb1 S4 78.7(4) 7_655 3_455 ? S3 Sb1 S4 162.0(4) 7_656 3_455 ? S3 Sb1 S4 91.38(16) 7_655 3_455 ? S4 Sb1 S4 78.7(4) 7_655 3_456 ? S3 Sb1 S4 91.38(16) 7_656 3_456 ? S3 Sb1 S4 162.0(4) 7_655 3_456 ? S4 Sb1 S4 80.52(14) 3_455 3_456 ? S4 Sb1 S1 144.28(14) 7_655 . ? S3 Sb1 S1 80.3(3) 7_656 . ? S3 Sb1 S1 128.1(3) 7_655 . ? S4 Sb1 S1 111.3(3) 3_455 . ? S4 Sb1 S1 69.9(3) 3_456 . ? S4 Sb1 S1 144.28(14) 7_655 1_554 ? S3 Sb1 S1 128.1(3) 7_656 1_554 ? S3 Sb1 S1 80.3(3) 7_655 1_554 ? S4 Sb1 S1 69.9(3) 3_455 1_554 ? S4 Sb1 S1 111.3(3) 3_456 1_554 ? S1 Sb1 S1 66.4(3) . 1_554 ? S4 Sb1 S2 142.5(4) 7_655 . ? S3 Sb1 S2 70.3(3) 7_656 . ? S3 Sb1 S2 70.3(3) 7_655 . ? S4 Sb1 S2 127.2(3) 3_455 . ? S4 Sb1 S2 127.2(3) 3_456 . ? S1 Sb1 S2 58.6(2) . . ? S1 Sb1 S2 58.6(2) 1_554 . ? S4 Sb1 Sb1 90.0 7_655 1_556 ? S3 Sb1 Sb1 44.17(16) 7_656 1_556 ? S3 Sb1 Sb1 135.83(16) 7_655 1_556 ? S4 Sb1 Sb1 130.26(7) 3_455 1_556 ? S4 Sb1 Sb1 49.74(7) 3_456 1_556 ? S1 Sb1 Sb1 56.80(16) . 1_556 ? S1 Sb1 Sb1 123.20(16) 1_554 1_556 ? S2 Sb1 Sb1 90.0 . 1_556 ? S4 Sb1 Sb1 90.0 7_655 1_554 ? S3 Sb1 Sb1 135.83(16) 7_656 1_554 ? S3 Sb1 Sb1 44.17(16) 7_655 1_554 ? S4 Sb1 Sb1 49.74(7) 3_455 1_554 ? S4 Sb1 Sb1 130.26(7) 3_456 1_554 ? S1 Sb1 Sb1 123.20(16) . 1_554 ? S1 Sb1 Sb1 56.80(16) 1_554 1_554 ? S2 Sb1 Sb1 90.0 . 1_554 ? Sb1 Sb1 Sb1 180.0 1_556 1_554 ? S4 Sb1 Fe 43.42(16) 7_655 7_655 ? S3 Sb1 Fe 87.3(3) 7_656 7_655 ? S3 Sb1 Fe 40.6(3) 7_655 7_655 ? S4 Sb1 Fe 83.5(3) 3_455 7_655 ? S4 Sb1 Fe 121.9(3) 3_456 7_655 ? S1 Sb1 Fe 163.34(12) . 7_655 ? S1 Sb1 Fe 114.43(18) 1_554 7_655 ? S2 Sb1 Fe 106.7(2) . 7_655 ? Sb1 Sb1 Fe 119.81(7) 1_556 7_655 ? Sb1 Sb1 Fe 60.19(7) 1_554 7_655 ? S4 Sb1 Fe 43.42(16) 7_655 7_656 ? S3 Sb1 Fe 40.6(3) 7_656 7_656 ? S3 Sb1 Fe 87.3(3) 7_655 7_656 ? S4 Sb1 Fe 121.9(3) 3_455 7_656 ? S4 Sb1 Fe 83.5(3) 3_456 7_656 ? S1 Sb1 Fe 114.43(18) . 7_656 ? S1 Sb1 Fe 163.34(12) 1_554 7_656 ? S2 Sb1 Fe 106.7(2) . 7_656 ? Sb1 Sb1 Fe 60.19(7) 1_556 7_656 ? Sb1 Sb1 Fe 119.81(7) 1_554 7_656 ? Fe Sb1 Fe 59.61(15) 7_655 7_656 ? S4 Sb1 Fe 85.1(2) 7_655 3_455 ? S3 Sb1 Fe 132.66(9) 7_656 3_455 ? S3 Sb1 Fe 132.66(9) 7_655 3_455 ? S4 Sb1 Fe 41.28(13) 3_455 3_455 ? S4 Sb1 Fe 41.28(13) 3_456 3_455 ? S1 Sb1 Fe 82.37(17) . 3_455 ? S1 Sb1 Fe 82.37(17) 1_554 3_455 ? S2 Sb1 Fe 132.4(3) . 3_455 ? Sb1 Sb1 Fe 90.0 1_556 3_455 ? Sb1 Sb1 Fe 90.0 1_554 3_455 ? Fe Sb1 Fe 114.29(13) 7_655 3_455 ? Fe Sb1 Fe 114.29(13) 7_656 3_455 ? S4 Sb1 Sb1 42.78(15) 7_655 5 ? S3 Sb1 Sb1 126.6(4) 7_656 5 ? S3 Sb1 Sb1 87.37(19) 7_655 5 ? S4 Sb1 Sb1 35.9(3) 3_455 5 ? S4 Sb1 Sb1 76.62(18) 3_456 5 ? S1 Sb1 Sb1 137.53(16) . 5 ? S1 Sb1 Sb1 104.32(13) 1_554 5 ? S2 Sb1 Sb1 153.28(3) . 5 ? Sb1 Sb1 Sb1 116.59(3) 1_556 5 ? Sb1 Sb1 Sb1 63.41(3) 1_554 5 ? Fe Sb1 Sb1 59.12(10) 7_655 5 ? Fe Sb1 Sb1 86.09(14) 7_656 5 ? Fe Sb1 Sb1 55.17(11) 3_455 5 ? S4 Sb1 Sb1 42.78(15) 7_655 5_556 ? S3 Sb1 Sb1 87.37(19) 7_656 5_556 ? S3 Sb1 Sb1 126.6(4) 7_655 5_556 ? S4 Sb1 Sb1 76.62(18) 3_455 5_556 ? S4 Sb1 Sb1 35.9(3) 3_456 5_556 ? S1 Sb1 Sb1 104.32(13) . 5_556 ? S1 Sb1 Sb1 137.53(16) 1_554 5_556 ? S2 Sb1 Sb1 153.28(3) . 5_556 ? Sb1 Sb1 Sb1 63.41(3) 1_556 5_556 ? Sb1 Sb1 Sb1 116.59(3) 1_554 5_556 ? Fe Sb1 Sb1 86.09(14) 7_655 5_556 ? Fe Sb1 Sb1 59.12(10) 7_656 5_556 ? Fe Sb1 Sb1 55.17(11) 3_455 5_556 ? Sb1 Sb1 Sb1 53.18(6) 5 5_556 ? S4 Sb1 Fe 177.7(2) 7_655 . ? S3 Sb1 Fe 94.4(3) 7_656 . ? S3 Sb1 Fe 94.4(3) 7_655 . ? S4 Sb1 Fe 103.0(3) 3_455 . ? S4 Sb1 Fe 103.0(3) 3_456 . ? S1 Sb1 Fe 36.56(12) . . ? S1 Sb1 Fe 36.56(12) 1_554 . ? S2 Sb1 Fe 35.3(3) . . ? Sb1 Sb1 Fe 90.0 1_556 . ? Sb1 Sb1 Fe 90.0 1_554 . ? Fe Sb1 Fe 134.99(3) 7_655 . ? Fe Sb1 Fe 134.99(3) 7_656 . ? Fe Sb1 Fe 97.14(12) 3_455 . ? Sb1 Sb1 Fe 138.91(13) 5 . ? Sb1 Sb1 Fe 138.91(13) 5_556 . ? S4 Sb1 S2 118.9(2) 7_655 3_455 ? S3 Sb1 S2 130.8(3) 7_656 3_455 ? S3 Sb1 S2 130.8(3) 7_655 3_455 ? S4 Sb1 S2 56.6(3) 3_455 3_455 ? S4 Sb1 S2 56.6(3) 3_456 3_455 ? S1 Sb1 S2 55.30(18) . 3_455 ? S1 Sb1 S2 55.30(18) 1_554 3_455 ? S2 Sb1 S2 98.66(16) . 3_455 ? Sb1 Sb1 S2 90.0 1_556 3_455 ? Sb1 Sb1 S2 90.0 1_554 3_455 ? Fe Sb1 S2 140.03(9) 7_655 3_455 ? Fe Sb1 S2 140.03(9) 7_656 3_455 ? Fe Sb1 S2 33.7(2) 3_455 3_455 ? Sb1 Sb1 S2 84.67(15) 5 3_455 ? Sb1 Sb1 S2 84.67(15) 5_556 3_455 ? Fe Sb1 S2 63.40(16) . 3_455 ? S4 Sb1 Sb2 80.8(2) 7_655 7_655 ? S3 Sb1 Sb2 45.83(17) 7_656 7_655 ? S3 Sb1 Sb2 45.83(17) 7_655 7_655 ? S4 Sb1 Sb2 134.1(2) 3_455 7_655 ? S4 Sb1 Sb2 134.1(2) 3_456 7_655 ? S1 Sb1 Sb2 109.28(12) . 7_655 ? S1 Sb1 Sb2 109.28(12) 1_554 7_655 ? S2 Sb1 Sb2 61.7(3) . 7_655 ? Sb1 Sb1 Sb2 90.0 1_556 7_655 ? Sb1 Sb1 Sb2 90.0 1_554 7_655 ? Fe Sb1 Sb2 54.19(7) 7_655 7_655 ? Fe Sb1 Sb2 54.19(7) 7_656 7_655 ? Fe Sb1 Sb2 165.90(18) 3_455 7_655 ? Sb1 Sb1 Sb2 112.73(15) 5 7_655 ? Sb1 Sb1 Sb2 112.73(15) 5_556 7_655 ? Fe Sb1 Sb2 96.97(9) . 7_655 ? S2 Sb1 Sb2 160.37(17) 3_455 7_655 ? S4 Sb1 S4 56.25(17) 7_655 7_654 ? S3 Sb1 S4 122.6(4) 7_656 7_654 ? S3 Sb1 S4 49.12(16) 7_655 7_654 ? S4 Sb1 S4 49.7(4) 3_455 7_654 ? S4 Sb1 S4 115.37(15) 3_456 7_654 ? S1 Sb1 S4 155.0(3) . 7_654 ? S1 Sb1 S4 89.8(2) 1_554 7_654 ? S2 Sb1 S4 116.14(11) . 7_654 ? Sb1 Sb1 S4 146.25(17) 1_556 7_654 ? Sb1 Sb1 S4 33.75(17) 1_554 7_654 ? Fe Sb1 S4 35.23(18) 7_655 7_654 ? Fe Sb1 S4 90.6(2) 7_656 7_654 ? Fe Sb1 S4 87.30(12) 3_455 7_654 ? Sb1 Sb1 S4 38.74(7) 5 7_654 ? Sb1 Sb1 S4 87.96(14) 5_556 7_654 ? Fe Sb1 S4 123.72(17) . 7_654 ? S2 Sb1 S4 105.56(18) 3_455 7_654 ? Sb2 Sb1 S4 84.89(14) 7_655 7_654 ? S4 Sb1 S4 56.25(17) 7_655 7_656 ? S3 Sb1 S4 49.12(16) 7_656 7_656 ? S3 Sb1 S4 122.6(4) 7_655 7_656 ? S4 Sb1 S4 115.37(15) 3_455 7_656 ? S4 Sb1 S4 49.7(4) 3_456 7_656 ? S1 Sb1 S4 89.8(2) . 7_656 ? S1 Sb1 S4 155.0(3) 1_554 7_656 ? S2 Sb1 S4 116.14(11) . 7_656 ? Sb1 Sb1 S4 33.75(17) 1_556 7_656 ? Sb1 Sb1 S4 146.25(17) 1_554 7_656 ? Fe Sb1 S4 90.6(2) 7_655 7_656 ? Fe Sb1 S4 35.23(18) 7_656 7_656 ? Fe Sb1 S4 87.30(12) 3_455 7_656 ? Sb1 Sb1 S4 87.96(14) 5 7_656 ? Sb1 Sb1 S4 38.74(7) 5_556 7_656 ? Fe Sb1 S4 123.72(17) . 7_656 ? S2 Sb1 S4 105.56(18) 3_455 7_656 ? Sb2 Sb1 S4 84.89(14) 7_655 7_656 ? S4 Sb1 S4 112.5(3) 7_654 7_656 ? S4 Sb1 S1 49.1(2) 7_655 7_655 ? S3 Sb1 S1 53.9(3) 7_656 7_655 ? S3 Sb1 S1 53.9(3) 7_655 7_655 ? S4 Sb1 S1 115.4(3) 3_455 7_655 ? S4 Sb1 S1 115.4(3) 3_456 7_655 ? S1 Sb1 S1 133.19(9) . 7_655 ? S1 Sb1 S1 133.19(9) 1_554 7_655 ? S2 Sb1 S1 93.4(3) . 7_655 ? Sb1 Sb1 S1 90.0 1_556 7_655 ? Sb1 Sb1 S1 90.0 1_554 7_655 ? Fe Sb1 S1 33.46(8) 7_655 7_655 ? Fe Sb1 S1 33.46(8) 7_656 7_655 ? Fe Sb1 S1 134.25(19) 3_455 7_655 ? Sb1 Sb1 S1 84.59(16) 5 7_655 ? Sb1 Sb1 S1 84.59(16) 5_556 7_655 ? Fe Sb1 S1 128.62(13) . 7_655 ? S2 Sb1 S1 167.98(18) 3_455 7_655 ? Sb2 Sb1 S1 31.65(12) 7_655 7_655 ? S4 Sb1 S1 68.68(19) 7_654 7_655 ? S4 Sb1 S1 68.68(19) 7_656 7_655 ? S4 Sb1 S3 54.6(3) 7_655 3_455 ? S3 Sb1 S3 120.06(12) 7_656 3_455 ? S3 Sb1 S3 120.06(12) 7_655 3_455 ? S4 Sb1 S3 44.38(16) 3_455 3_455 ? S4 Sb1 S3 44.38(16) 3_456 3_455 ? S1 Sb1 S3 107.78(19) . 3_455 ? S1 Sb1 S3 107.78(19) 1_554 3_455 ? S2 Sb1 S3 162.9(4) . 3_455 ? Sb1 Sb1 S3 90.0 1_556 3_455 ? Sb1 Sb1 S3 90.0 1_554 3_455 ? Fe Sb1 S3 88.05(19) 7_655 3_455 ? Fe Sb1 S3 88.05(19) 7_656 3_455 ? Fe Sb1 S3 30.5(2) 3_455 3_455 ? Sb1 Sb1 S3 32.69(11) 5 3_455 ? Sb1 Sb1 S3 32.69(11) 5_556 3_455 ? Fe Sb1 S3 127.7(2) . 3_455 ? S2 Sb1 S3 64.3(3) 3_455 3_455 ? Sb2 Sb1 S3 135.4(2) 7_655 3_455 ? S4 Sb1 S3 71.22(11) 7_654 3_455 ? S4 Sb1 S3 71.22(11) 7_656 3_455 ? S1 Sb1 S3 103.7(2) 7_655 3_455 ? S4 Sb1 Sb2 120.3(2) 7_655 3_556 ? S3 Sb1 Sb2 40.9(3) 7_656 3_556 ? S3 Sb1 Sb2 78.26(12) 7_655 3_556 ? S4 Sb1 Sb2 156.6(2) 3_455 3_556 ? S4 Sb1 Sb2 114.84(10) 3_456 3_556 ? S1 Sb1 Sb2 62.34(12) . 3_556 ? S1 Sb1 Sb2 87.55(9) 1_554 3_556 ? S2 Sb1 Sb2 29.43(15) . 3_556 ? Sb1 Sb1 Sb2 67.360(9) 1_556 3_556 ? Sb1 Sb1 Sb2 112.640(9) 1_554 3_556 ? Fe Sb1 Sb2 101.03(8) 7_655 3_556 ? Fe Sb1 Sb2 78.97(8) 7_656 3_556 ? Fe Sb1 Sb2 144.36(14) 3_455 3_556 ? Sb1 Sb1 Sb2 159.64(17) 5 3_556 ? Sb1 Sb1 Sb2 126.36(6) 5_556 3_556 ? Fe Sb1 Sb2 57.65(9) . 3_556 ? S2 Sb1 Sb2 115.65(15) 3_455 3_556 ? Sb2 Sb1 Sb2 47.03(9) 7_655 3_556 ? S4 Sb1 Sb2 126.91(10) 7_654 3_556 ? S4 Sb1 Sb2 87.73(7) 7_656 3_556 ? S1 Sb1 Sb2 75.31(11) 7_655 3_556 ? S3 Sb1 Sb2 157.25(3) 3_455 3_556 ? S4 Sb1 Sb2 120.3(2) 7_655 3 ? S3 Sb1 Sb2 78.26(12) 7_656 3 ? S3 Sb1 Sb2 40.9(3) 7_655 3 ? S4 Sb1 Sb2 114.84(10) 3_455 3 ? S4 Sb1 Sb2 156.6(2) 3_456 3 ? S1 Sb1 Sb2 87.55(9) . 3 ? S1 Sb1 Sb2 62.34(12) 1_554 3 ? S2 Sb1 Sb2 29.43(15) . 3 ? Sb1 Sb1 Sb2 112.640(9) 1_556 3 ? Sb1 Sb1 Sb2 67.360(9) 1_554 3 ? Fe Sb1 Sb2 78.97(8) 7_655 3 ? Fe Sb1 Sb2 101.03(8) 7_656 3 ? Fe Sb1 Sb2 144.36(14) 3_455 3 ? Sb1 Sb1 Sb2 126.36(6) 5 3 ? Sb1 Sb1 Sb2 159.64(17) 5_556 3 ? Fe Sb1 Sb2 57.65(9) . 3 ? S2 Sb1 Sb2 115.65(15) 3_455 3 ? Sb2 Sb1 Sb2 47.03(9) 7_655 3 ? S4 Sb1 Sb2 87.73(7) 7_654 3 ? S4 Sb1 Sb2 126.91(10) 7_656 3 ? S1 Sb1 Sb2 75.31(11) 7_655 3 ? S3 Sb1 Sb2 157.25(3) 3_455 3 ? Sb2 Sb1 Sb2 45.280(18) 3_556 3 ? S4 Sb1 Sb2 135.10(17) 7_655 . ? S3 Sb1 Sb2 102.6(3) 7_656 . ? S3 Sb1 Sb2 139.0(4) 7_655 . ? S4 Sb1 Sb2 86.5(3) 3_455 . ? S4 Sb1 Sb2 57.0(3) 3_456 . ? S1 Sb1 Sb2 25.68(13) . . ? S1 Sb1 Sb2 60.57(18) 1_554 . ? S2 Sb1 Sb2 78.6(2) . . ? Sb1 Sb1 Sb2 68.02(3) 1_556 . ? Sb1 Sb1 Sb2 111.98(3) 1_554 . ? Fe Sb1 Sb2 169.94(6) 7_655 . ? Fe Sb1 Sb2 127.78(7) 7_656 . ? Fe Sb1 Sb2 57.58(13) 3_455 . ? Sb1 Sb1 Sb2 112.45(10) 5 . ? Sb1 Sb1 Sb2 92.68(10) 5_556 . ? Fe Sb1 Sb2 46.83(7) . . ? S2 Sb1 Sb2 29.99(10) 3_455 . ? Sb2 Sb1 Sb2 134.78(7) 7_655 . ? S4 Sb1 Sb2 134.81(18) 7_654 . ? S4 Sb1 Sb2 94.72(19) 7_656 . ? S1 Sb1 Sb2 156.36(4) 7_655 . ? S3 Sb1 Sb2 85.56(19) 3_455 . ? Sb2 Sb1 Sb2 87.75(7) 3_556 . ? Sb2 Sb1 Sb2 104.41(8) 3 . ? S4 Sb1 Sb2 135.10(17) 7_655 1_554 ? S3 Sb1 Sb2 139.0(4) 7_656 1_554 ? S3 Sb1 Sb2 102.6(3) 7_655 1_554 ? S4 Sb1 Sb2 57.0(3) 3_455 1_554 ? S4 Sb1 Sb2 86.5(3) 3_456 1_554 ? S1 Sb1 Sb2 60.57(18) . 1_554 ? S1 Sb1 Sb2 25.68(13) 1_554 1_554 ? S2 Sb1 Sb2 78.6(2) . 1_554 ? Sb1 Sb1 Sb2 111.98(3) 1_556 1_554 ? Sb1 Sb1 Sb2 68.02(3) 1_554 1_554 ? Fe Sb1 Sb2 127.78(7) 7_655 1_554 ? Fe Sb1 Sb2 169.94(6) 7_656 1_554 ? Fe Sb1 Sb2 57.58(13) 3_455 1_554 ? Sb1 Sb1 Sb2 92.68(10) 5 1_554 ? Sb1 Sb1 Sb2 112.45(10) 5_556 1_554 ? Fe Sb1 Sb2 46.83(7) . 1_554 ? S2 Sb1 Sb2 29.99(10) 3_455 1_554 ? Sb2 Sb1 Sb2 134.78(7) 7_655 1_554 ? S4 Sb1 Sb2 94.72(19) 7_654 1_554 ? S4 Sb1 Sb2 134.81(18) 7_656 1_554 ? S1 Sb1 Sb2 156.36(4) 7_655 1_554 ? S3 Sb1 Sb2 85.56(19) 3_455 1_554 ? Sb2 Sb1 Sb2 104.41(8) 3_556 1_554 ? Sb2 Sb1 Sb2 87.75(7) 3 1_554 ? Sb2 Sb1 Sb2 43.95(5) . 1_554 ? S4 Sb1 S2 122.8(2) 7_655 1_556 ? S3 Sb1 S2 41.1(4) 7_656 1_556 ? S3 Sb1 S2 107.12(14) 7_655 1_556 ? S4 Sb1 S2 152.3(3) 3_455 1_556 ? S4 Sb1 S2 86.59(13) 3_456 1_556 ? S1 Sb1 S2 40.9(2) . 1_556 ? S1 Sb1 S2 92.6(2) 1_554 1_556 ? S2 Sb1 S2 46.95(7) . 1_556 ? Sb1 Sb1 S2 43.05(7) 1_556 1_556 ? Sb1 Sb1 S2 136.95(7) 1_554 1_556 ? Fe Sb1 S2 124.00(17) 7_655 1_556 ? Fe Sb1 S2 80.36(19) 7_656 1_556 ? Fe Sb1 S2 117.40(16) 3_455 1_556 ? Sb1 Sb1 S2 159.53(11) 5 1_556 ? Sb1 Sb1 S2 106.41(8) 5_556 1_556 ? Fe Sb1 S2 56.12(17) . 1_556 ? S2 Sb1 S2 95.90(10) 3_455 1_556 ? Sb2 Sb1 S2 71.13(14) 7_655 1_556 ? S4 Sb1 S2 155.29(16) 7_654 1_556 ? S4 Sb1 S2 72.13(15) 7_656 1_556 ? S1 Sb1 S2 92.30(18) 7_655 1_556 ? S3 Sb1 S2 130.73(7) 3_455 1_556 ? Sb2 Sb1 S2 28.86(7) 3_556 1_556 ? Sb2 Sb1 S2 71.75(5) 3 1_556 ? Sb2 Sb1 S2 65.91(16) . 1_556 ? Sb2 Sb1 S2 97.98(19) 1_554 1_556 ? S4 Sb1 S2 122.8(2) 7_655 1_554 ? S3 Sb1 S2 107.12(14) 7_656 1_554 ? S3 Sb1 S2 41.1(4) 7_655 1_554 ? S4 Sb1 S2 86.59(13) 3_455 1_554 ? S4 Sb1 S2 152.3(3) 3_456 1_554 ? S1 Sb1 S2 92.6(2) . 1_554 ? S1 Sb1 S2 40.9(2) 1_554 1_554 ? S2 Sb1 S2 46.95(7) . 1_554 ? Sb1 Sb1 S2 136.95(7) 1_556 1_554 ? Sb1 Sb1 S2 43.05(7) 1_554 1_554 ? Fe Sb1 S2 80.36(19) 7_655 1_554 ? Fe Sb1 S2 124.00(17) 7_656 1_554 ? Fe Sb1 S2 117.40(16) 3_455 1_554 ? Sb1 Sb1 S2 106.41(8) 5 1_554 ? Sb1 Sb1 S2 159.53(11) 5_556 1_554 ? Fe Sb1 S2 56.12(17) . 1_554 ? S2 Sb1 S2 95.90(10) 3_455 1_554 ? Sb2 Sb1 S2 71.13(14) 7_655 1_554 ? S4 Sb1 S2 72.13(15) 7_654 1_554 ? S4 Sb1 S2 155.29(16) 7_656 1_554 ? S1 Sb1 S2 92.29(18) 7_655 1_554 ? S3 Sb1 S2 130.73(7) 3_455 1_554 ? Sb2 Sb1 S2 71.75(5) 3_556 1_554 ? Sb2 Sb1 S2 28.86(7) 3 1_554 ? Sb2 Sb1 S2 97.98(19) . 1_554 ? Sb2 Sb1 S2 65.91(16) 1_554 1_554 ? S2 Sb1 S2 93.91(15) 1_556 1_554 ? S4 Sb1 Fe 86.47(16) 7_655 3_454 ? S3 Sb1 Fe 170.2(3) 7_656 3_454 ? S3 Sb1 Fe 89.82(12) 7_655 3_454 ? S4 Sb1 Fe 8.2(3) 3_455 3_454 ? S4 Sb1 Fe 84.30(10) 3_456 3_454 ? S1 Sb1 Fe 106.3(2) . 3_454 ? S1 Sb1 Fe 61.73(12) 1_554 3_454 ? S2 Sb1 Fe 119.25(19) . 3_454 ? Sb1 Sb1 Fe 133.55(3) 1_556 3_454 ? Sb1 Sb1 Fe 46.45(3) 1_554 3_454 ? Fe Sb1 Fe 87.46(13) 7_655 3_454 ? Fe Sb1 Fe 129.84(8) 7_656 3_454 ? Fe Sb1 Fe 43.55(3) 3_455 3_454 ? Sb1 Sb1 Fe 43.75(10) 5 3_454 ? Sb1 Sb1 Fe 83.94(6) 5_556 3_454 ? Fe Sb1 Fe 95.17(8) . 3_454 ? S2 Sb1 Fe 52.94(12) 3_455 3_454 ? Sb2 Sb1 Fe 134.66(7) 7_655 3_454 ? S4 Sb1 Fe 52.62(17) 7_654 3_454 ? S4 Sb1 Fe 122.60(8) 7_656 3_454 ? S1 Sb1 Fe 120.38(13) 7_655 3_454 ? S3 Sb1 Fe 51.38(11) 3_455 3_454 ? Sb2 Sb1 Fe 148.67(11) 3_556 3_454 ? Sb2 Sb1 Fe 108.89(5) 3 3_454 ? Sb2 Sb1 Fe 82.49(10) . 3_454 ? Sb2 Sb1 Fe 49.73(10) 1_554 3_454 ? S2 Sb1 Fe 146.8(2) 1_556 3_454 ? S2 Sb1 Fe 80.21(7) 1_554 3_454 ? S4 Sb1 Fe 86.47(16) 7_655 3_456 ? S3 Sb1 Fe 89.82(12) 7_656 3_456 ? S3 Sb1 Fe 170.2(3) 7_655 3_456 ? S4 Sb1 Fe 84.30(10) 3_455 3_456 ? S4 Sb1 Fe 8.2(3) 3_456 3_456 ? S1 Sb1 Fe 61.73(12) . 3_456 ? S1 Sb1 Fe 106.3(2) 1_554 3_456 ? S2 Sb1 Fe 119.25(19) . 3_456 ? Sb1 Sb1 Fe 46.45(3) 1_556 3_456 ? Sb1 Sb1 Fe 133.55(3) 1_554 3_456 ? Fe Sb1 Fe 129.84(8) 7_655 3_456 ? Fe Sb1 Fe 87.46(13) 7_656 3_456 ? Fe Sb1 Fe 43.55(3) 3_455 3_456 ? Sb1 Sb1 Fe 83.94(6) 5 3_456 ? Sb1 Sb1 Fe 43.75(10) 5_556 3_456 ? Fe Sb1 Fe 95.17(8) . 3_456 ? S2 Sb1 Fe 52.94(12) 3_455 3_456 ? Sb2 Sb1 Fe 134.66(7) 7_655 3_456 ? S4 Sb1 Fe 122.60(8) 7_654 3_456 ? S4 Sb1 Fe 52.62(17) 7_656 3_456 ? S1 Sb1 Fe 120.38(13) 7_655 3_456 ? S3 Sb1 Fe 51.38(11) 3_455 3_456 ? Sb2 Sb1 Fe 108.89(5) 3_556 3_456 ? Sb2 Sb1 Fe 148.67(11) 3 3_456 ? Sb2 Sb1 Fe 49.73(10) . 3_456 ? Sb2 Sb1 Fe 82.49(10) 1_554 3_456 ? S2 Sb1 Fe 80.21(7) 1_556 3_456 ? S2 Sb1 Fe 146.8(2) 1_554 3_456 ? Fe Sb1 Fe 87.11(7) 3_454 3_456 ? S4 Sb1 Fe 138.18(6) 7_655 1_556 ? S3 Sb1 Fe 65.2(4) 7_656 1_556 ? S3 Sb1 Fe 122.4(2) 7_655 1_556 ? S4 Sb1 Fe 126.8(3) 3_455 1_556 ? S4 Sb1 Fe 74.8(2) 3_456 1_556 ? S1 Sb1 Fe 15.45(16) . 1_556 ? S1 Sb1 Fe 76.45(16) 1_554 1_556 ? S2 Sb1 Fe 52.48(14) . 1_556 ? Sb1 Sb1 Fe 48.23(6) 1_556 1_556 ? Sb1 Sb1 Fe 131.77(6) 1_554 1_556 ? Fe Sb1 Fe 149.14(9) 7_655 1_556 ? Fe Sb1 Fe 101.314(15) 7_656 1_556 ? Fe Sb1 Fe 95.32(9) 3_455 1_556 ? Sb1 Sb1 Fe 149.35(9) 5 1_556 ? Sb1 Sb1 Fe 105.30(7) 5_556 1_556 ? Fe Sb1 Fe 41.77(6) . 1_556 ? S2 Sb1 Fe 70.49(13) 3_455 1_556 ? Sb2 Sb1 Fe 95.19(7) 7_655 1_556 ? S4 Sb1 Fe 165.44(18) 7_654 1_556 ? S4 Sb1 Fe 81.96(17) 7_656 1_556 ? S1 Sb1 Fe 117.74(10) 7_655 1_556 ? S3 Sb1 Fe 117.12(14) 3_455 1_556 ? Sb2 Sb1 Fe 49.04(7) 3_556 1_556 ? Sb2 Sb1 Fe 81.80(6) 3 1_556 ? Sb2 Sb1 Fe 40.58(6) . 1_556 ? Sb2 Sb1 Fe 74.87(9) 1_554 1_556 ? S2 Sb1 Fe 25.50(18) 1_556 1_556 ? S2 Sb1 Fe 94.08(14) 1_554 1_556 ? Fe Sb1 Fe 121.75(8) 3_454 1_556 ? Fe Sb1 Fe 66.93(7) 3_456 1_556 ? S4 Sb1 Fe 138.18(6) 7_655 1_554 ? S3 Sb1 Fe 122.4(2) 7_656 1_554 ? S3 Sb1 Fe 65.2(4) 7_655 1_554 ? S4 Sb1 Fe 74.8(2) 3_455 1_554 ? S4 Sb1 Fe 126.8(3) 3_456 1_554 ? S1 Sb1 Fe 76.45(16) . 1_554 ? S1 Sb1 Fe 15.45(16) 1_554 1_554 ? S2 Sb1 Fe 52.48(14) . 1_554 ? Sb1 Sb1 Fe 131.77(6) 1_556 1_554 ? Sb1 Sb1 Fe 48.23(6) 1_554 1_554 ? Fe Sb1 Fe 101.314(15) 7_655 1_554 ? Fe Sb1 Fe 149.14(9) 7_656 1_554 ? Fe Sb1 Fe 95.32(9) 3_455 1_554 ? Sb1 Sb1 Fe 105.30(7) 5 1_554 ? Sb1 Sb1 Fe 149.35(9) 5_556 1_554 ? Fe Sb1 Fe 41.77(6) . 1_554 ? S2 Sb1 Fe 70.49(13) 3_455 1_554 ? Sb2 Sb1 Fe 95.19(7) 7_655 1_554 ? S4 Sb1 Fe 81.96(17) 7_654 1_554 ? S4 Sb1 Fe 165.44(18) 7_656 1_554 ? S1 Sb1 Fe 117.74(10) 7_655 1_554 ? S3 Sb1 Fe 117.12(14) 3_455 1_554 ? Sb2 Sb1 Fe 81.80(6) 3_556 1_554 ? Sb2 Sb1 Fe 49.04(7) 3 1_554 ? Sb2 Sb1 Fe 74.87(9) . 1_554 ? Sb2 Sb1 Fe 40.58(6) 1_554 1_554 ? S2 Sb1 Fe 94.08(14) 1_556 1_554 ? S2 Sb1 Fe 25.50(18) 1_554 1_554 ? Fe Sb1 Fe 66.93(7) 3_454 1_554 ? Fe Sb1 Fe 121.75(8) 3_456 1_554 ? Fe Sb1 Fe 83.54(12) 1_556 1_554 ? S4 Sb1 S2 111.38(19) 7_655 3_456 ? S3 Sb1 S2 91.4(2) 7_656 3_456 ? S3 Sb1 S2 164.6(4) 7_655 3_456 ? S4 Sb1 S2 90.4(2) 3_455 3_456 ? S4 Sb1 S2 32.9(3) 3_456 3_456 ? S1 Sb1 S2 37.92(13) . 3_456 ? S1 Sb1 S2 85.9(2) 1_554 3_456 ? S2 Sb1 S2 96.53(12) . 3_456 ? Sb1 Sb1 S2 49.04(9) 1_556 3_456 ? Sb1 Sb1 S2 130.96(9) 1_554 3_456 ? Fe Sb1 S2 154.76(15) 7_655 3_456 ? Fe Sb1 S2 104.65(12) 7_656 3_456 ? Fe Sb1 S2 51.10(9) 3_455 3_456 ? Sb1 Sb1 S2 102.90(9) 5 3_456 ? Sb1 Sb1 S2 68.68(14) 5_556 3_456 ? Fe Sb1 S2 70.24(14) . 3_456 ? S2 Sb1 S2 40.96(9) 3_455 3_456 ? Sb2 Sb1 S2 135.34(5) 7_655 3_456 ? S4 Sb1 S2 138.38(11) 7_654 3_456 ? S4 Sb1 S2 70.0(2) 7_656 3_456 ? S1 Sb1 S2 137.61(12) 7_655 3_456 ? S3 Sb1 S2 70.86(17) 3_455 3_456 ? Sb2 Sb1 S2 94.28(7) 3_556 3_456 ? Sb2 Sb1 S2 125.40(13) 3 3_456 ? Sb2 Sb1 S2 25.93(13) . 3_456 ? Sb2 Sb1 S2 65.88(12) 1_554 3_456 ? S2 Sb1 S2 66.33(9) 1_556 3_456 ? S2 Sb1 S2 123.83(10) 1_554 3_456 ? Fe Sb1 S2 89.80(9) 3_454 3_456 ? Fe Sb1 S2 24.93(16) 3_456 3_456 ? Fe Sb1 S2 46.46(8) 1_556 3_456 ? Fe Sb1 S2 100.64(16) 1_554 3_456 ? S4 Sb1 S2 111.38(19) 7_655 3_454 ? S3 Sb1 S2 164.6(4) 7_656 3_454 ? S3 Sb1 S2 91.4(2) 7_655 3_454 ? S4 Sb1 S2 32.9(3) 3_455 3_454 ? S4 Sb1 S2 90.4(2) 3_456 3_454 ? S1 Sb1 S2 85.9(2) . 3_454 ? S1 Sb1 S2 37.92(13) 1_554 3_454 ? S2 Sb1 S2 96.53(12) . 3_454 ? Sb1 Sb1 S2 130.96(9) 1_556 3_454 ? Sb1 Sb1 S2 49.04(9) 1_554 3_454 ? Fe Sb1 S2 104.65(12) 7_655 3_454 ? Fe Sb1 S2 154.76(15) 7_656 3_454 ? Fe Sb1 S2 51.10(9) 3_455 3_454 ? Sb1 Sb1 S2 68.68(14) 5 3_454 ? Sb1 Sb1 S2 102.90(9) 5_556 3_454 ? Fe Sb1 S2 70.24(14) . 3_454 ? S2 Sb1 S2 40.96(9) 3_455 3_454 ? Sb2 Sb1 S2 135.34(5) 7_655 3_454 ? S4 Sb1 S2 70.0(2) 7_654 3_454 ? S4 Sb1 S2 138.38(11) 7_656 3_454 ? S1 Sb1 S2 137.61(12) 7_655 3_454 ? S3 Sb1 S2 70.86(17) 3_455 3_454 ? Sb2 Sb1 S2 125.40(13) 3_556 3_454 ? Sb2 Sb1 S2 94.28(7) 3 3_454 ? Sb2 Sb1 S2 65.88(12) . 3_454 ? Sb2 Sb1 S2 25.93(13) 1_554 3_454 ? S2 Sb1 S2 123.83(10) 1_556 3_454 ? S2 Sb1 S2 66.33(9) 1_554 3_454 ? Fe Sb1 S2 24.93(16) 3_454 3_454 ? Fe Sb1 S2 89.80(9) 3_456 3_454 ? Fe Sb1 S2 100.64(16) 1_556 3_454 ? Fe Sb1 S2 46.46(8) 1_554 3_454 ? S2 Sb1 S2 81.92(18) 3_456 3_454 ? S4 Sb1 S2 25.79(14) 7_655 7_655 ? S3 Sb1 S2 86.7(3) 7_656 7_655 ? S3 Sb1 S2 58.2(3) 7_655 7_655 ? S4 Sb1 S2 79.8(3) 3_455 7_655 ? S4 Sb1 S2 104.3(3) 3_456 7_655 ? S1 Sb1 S2 165.52(18) . 7_655 ? S1 Sb1 S2 127.58(16) 1_554 7_655 ? S2 Sb1 S2 122.6(2) . 7_655 ? Sb1 Sb1 S2 109.10(6) 1_556 7_655 ? Sb1 Sb1 S2 70.90(6) 1_554 7_655 ? Fe Sb1 S2 17.68(7) 7_655 7_655 ? Fe Sb1 S2 51.13(10) 7_656 7_655 ? Fe Sb1 S2 102.08(14) 3_455 7_655 ? Sb1 Sb1 S2 48.63(11) 5 7_655 ? Sb1 Sb1 S2 68.41(12) 5_556 7_655 ? Fe Sb1 S2 152.66(7) . 7_655 ? S2 Sb1 S2 133.30(15) 3_455 7_655 ? Sb2 Sb1 S2 64.69(9) 7_655 7_655 ? S4 Sb1 S2 39.44(19) 7_654 7_655 ? S4 Sb1 S2 76.8(2) 7_656 7_655 ? S1 Sb1 S2 36.28(11) 7_655 7_655 ? S3 Sb1 S2 73.27(19) 3_455 7_655 ? Sb2 Sb1 S2 111.04(11) 3_556 7_655 ? Sb2 Sb1 S2 96.15(9) 3 7_655 ? Sb2 Sb1 S2 158.73(6) . 7_655 ? Sb2 Sb1 S2 133.39(7) 1_554 7_655 ? S2 Sb1 S2 127.4(2) 1_556 7_655 ? S2 Sb1 S2 97.42(15) 1_554 7_655 ? Fe Sb1 S2 85.77(11) 3_454 7_655 ? Fe Sb1 S2 112.16(12) 3_456 7_655 ? Fe Sb1 S2 151.70(10) 1_556 7_655 ? Fe Sb1 S2 116.40(9) 1_554 7_655 ? S2 Sb1 S2 137.09(11) 3_456 7_655 ? S2 Sb1 S2 107.66(19) 3_454 7_655 ? S4 Sb1 S2 25.79(14) 7_655 7_656 ? S3 Sb1 S2 58.2(3) 7_656 7_656 ? S3 Sb1 S2 86.7(3) 7_655 7_656 ? S4 Sb1 S2 104.3(3) 3_455 7_656 ? S4 Sb1 S2 79.8(3) 3_456 7_656 ? S1 Sb1 S2 127.58(16) . 7_656 ? S1 Sb1 S2 165.52(18) 1_554 7_656 ? S2 Sb1 S2 122.6(2) . 7_656 ? Sb1 Sb1 S2 70.90(6) 1_556 7_656 ? Sb1 Sb1 S2 109.10(6) 1_554 7_656 ? Fe Sb1 S2 51.13(10) 7_655 7_656 ? Fe Sb1 S2 17.68(7) 7_656 7_656 ? Fe Sb1 S2 102.08(14) 3_455 7_656 ? Sb1 Sb1 S2 68.41(12) 5 7_656 ? Sb1 Sb1 S2 48.63(11) 5_556 7_656 ? Fe Sb1 S2 152.66(7) . 7_656 ? S2 Sb1 S2 133.30(15) 3_455 7_656 ? Sb2 Sb1 S2 64.69(9) 7_655 7_656 ? S4 Sb1 S2 76.8(2) 7_654 7_656 ? S4 Sb1 S2 39.44(19) 7_656 7_656 ? S1 Sb1 S2 36.28(11) 7_655 7_656 ? S3 Sb1 S2 73.27(19) 3_455 7_656 ? Sb2 Sb1 S2 96.15(9) 3_556 7_656 ? Sb2 Sb1 S2 111.04(11) 3 7_656 ? Sb2 Sb1 S2 133.39(7) . 7_656 ? Sb2 Sb1 S2 158.73(6) 1_554 7_656 ? S2 Sb1 S2 97.42(15) 1_556 7_656 ? S2 Sb1 S2 127.4(2) 1_554 7_656 ? Fe Sb1 S2 112.16(12) 3_454 7_656 ? Fe Sb1 S2 85.77(11) 3_456 7_656 ? Fe Sb1 S2 116.40(9) 1_556 7_656 ? Fe Sb1 S2 151.70(10) 1_554 7_656 ? S2 Sb1 S2 107.66(19) 3_456 7_656 ? S2 Sb1 S2 137.09(11) 3_454 7_656 ? S2 Sb1 S2 38.20(11) 7_655 7_656 ? S1 Sb2 S2 96.4(4) . 3_455 ? S1 Sb2 S2 96.4(4) . 3_456 ? S2 Sb2 S2 96.9(4) 3_455 3_456 ? S1 Sb2 S3 81.1(3) . 1_556 ? S2 Sb2 S3 168.1(2) 3_455 1_556 ? S2 Sb2 S3 94.96(19) 3_456 1_556 ? S1 Sb2 S3 81.1(3) . . ? S2 Sb2 S3 94.96(19) 3_455 . ? S2 Sb2 S3 168.1(2) 3_456 . ? S3 Sb2 S3 73.1(2) 1_556 . ? S1 Sb2 S3 165.1(4) . 5_566 ? S2 Sb2 S3 74.0(3) 3_455 5_566 ? S2 Sb2 S3 74.0(3) 3_456 5_566 ? S3 Sb2 S3 110.62(14) 1_556 5_566 ? S3 Sb2 S3 110.62(14) . 5_566 ? S1 Sb2 Sb2 138.1(2) . 5_567 ? S2 Sb2 Sb2 125.4(3) 3_455 5_567 ? S2 Sb2 Sb2 79.8(3) 3_456 5_567 ? S3 Sb2 Sb2 58.1(2) 1_556 5_567 ? S3 Sb2 Sb2 94.2(3) . 5_567 ? S3 Sb2 Sb2 52.6(2) 5_566 5_567 ? S1 Sb2 Sb2 138.1(2) . 5_566 ? S2 Sb2 Sb2 79.8(3) 3_455 5_566 ? S2 Sb2 Sb2 125.4(3) 3_456 5_566 ? S3 Sb2 Sb2 94.2(3) 1_556 5_566 ? S3 Sb2 Sb2 58.1(2) . 5_566 ? S3 Sb2 Sb2 52.6(2) 5_566 5_566 ? Sb2 Sb2 Sb2 60.71(13) 5_567 5_566 ? S1 Sb2 Fe 41.5(2) . 1_556 ? S2 Sb2 Fe 137.9(3) 3_455 1_556 ? S2 Sb2 Fe 89.47(15) 3_456 1_556 ? S3 Sb2 Fe 40.9(3) 1_556 1_556 ? S3 Sb2 Fe 80.92(14) . 1_556 ? S3 Sb2 Fe 146.61(15) 5_566 1_556 ? Sb2 Sb2 Fe 96.65(12) 5_567 1_556 ? Sb2 Sb2 Fe 128.56(18) 5_566 1_556 ? S1 Sb2 Fe 41.5(2) . . ? S2 Sb2 Fe 89.47(15) 3_455 . ? S2 Sb2 Fe 137.9(3) 3_456 . ? S3 Sb2 Fe 80.92(14) 1_556 . ? S3 Sb2 Fe 40.9(3) . . ? S3 Sb2 Fe 146.61(15) 5_566 . ? Sb2 Sb2 Fe 128.56(18) 5_567 . ? Sb2 Sb2 Fe 96.65(12) 5_566 . ? Fe Sb2 Fe 60.27(6) 1_556 . ? S1 Sb2 Sb2 90.0 . 1_556 ? S2 Sb2 Sb2 138.46(18) 3_455 1_556 ? S2 Sb2 Sb2 41.54(18) 3_456 1_556 ? S3 Sb2 Sb2 53.44(12) 1_556 1_556 ? S3 Sb2 Sb2 126.56(12) . 1_556 ? S3 Sb2 Sb2 90.0 5_566 1_556 ? Sb2 Sb2 Sb2 59.64(7) 5_567 1_556 ? Sb2 Sb2 Sb2 120.36(7) 5_566 1_556 ? Fe Sb2 Sb2 59.87(3) 1_556 1_556 ? Fe Sb2 Sb2 120.13(3) . 1_556 ? S1 Sb2 Sb2 90.0 . 1_554 ? S2 Sb2 Sb2 41.54(18) 3_455 1_554 ? S2 Sb2 Sb2 138.46(18) 3_456 1_554 ? S3 Sb2 Sb2 126.56(12) 1_556 1_554 ? S3 Sb2 Sb2 53.44(12) . 1_554 ? S3 Sb2 Sb2 90.0 5_566 1_554 ? Sb2 Sb2 Sb2 120.36(7) 5_567 1_554 ? Sb2 Sb2 Sb2 59.64(7) 5_566 1_554 ? Fe Sb2 Sb2 120.13(3) 1_556 1_554 ? Fe Sb2 Sb2 59.87(3) . 1_554 ? Sb2 Sb2 Sb2 180.0 1_556 1_554 ? S1 Sb2 S2 127.3(3) . 7_666 ? S2 Sb2 S2 116.8(3) 3_455 7_666 ? S2 Sb2 S2 116.8(3) 3_456 7_666 ? S3 Sb2 S2 57.8(3) 1_556 7_666 ? S3 Sb2 S2 57.8(3) . 7_666 ? S3 Sb2 S2 67.5(3) 5_566 7_666 ? Sb2 Sb2 S2 37.04(9) 5_567 7_666 ? Sb2 Sb2 S2 37.04(9) 5_566 7_666 ? Fe Sb2 S2 96.36(17) 1_556 7_666 ? Fe Sb2 S2 96.36(17) . 7_666 ? Sb2 Sb2 S2 90.0 1_556 7_666 ? Sb2 Sb2 S2 90.0 1_554 7_666 ? S1 Sb2 S4 59.8(3) . 3_456 ? S2 Sb2 S4 59.5(3) 3_455 3_456 ? S2 Sb2 S4 59.5(3) 3_456 3_456 ? S3 Sb2 S4 127.1(3) 1_556 3_456 ? S3 Sb2 S4 127.1(3) . 3_456 ? S3 Sb2 S4 105.4(3) 5_566 3_456 ? Sb2 Sb2 S4 138.72(9) 5_567 3_456 ? Sb2 Sb2 S4 138.72(9) 5_566 3_456 ? Fe Sb2 S4 89.79(17) 1_556 3_456 ? Fe Sb2 S4 89.79(17) . 3_456 ? Sb2 Sb2 S4 90.0 1_556 3_456 ? Sb2 Sb2 S4 90.0 1_554 3_456 ? S2 Sb2 S4 172.89(11) 7_666 3_456 ? S1 Sb2 Sb1 78.4(3) . 7_666 ? S2 Sb2 Sb1 131.51(17) 3_455 7_666 ? S2 Sb2 Sb1 131.51(17) 3_456 7_666 ? S3 Sb2 Sb1 36.57(11) 1_556 7_666 ? S3 Sb2 Sb1 36.57(11) . 7_666 ? S3 Sb2 Sb1 116.4(3) 5_566 7_666 ? Sb2 Sb2 Sb1 73.89(10) 5_567 7_666 ? Sb2 Sb2 Sb1 73.89(10) 5_566 7_666 ? Fe Sb2 Sb1 54.99(12) 1_556 7_666 ? Fe Sb2 Sb1 54.99(12) . 7_666 ? Sb2 Sb2 Sb1 90.0 1_556 7_666 ? Sb2 Sb2 Sb1 90.0 1_554 7_666 ? S2 Sb2 Sb1 48.91(10) 7_666 7_666 ? S4 Sb2 Sb1 138.20(12) 3_456 7_666 ? S1 Sb2 Fe 85.5(3) . 3_455 ? S2 Sb2 Fe 26.0(3) 3_455 3_455 ? S2 Sb2 Fe 74.8(2) 3_456 3_455 ? S3 Sb2 Fe 162.1(3) 1_556 3_455 ? S3 Sb2 Fe 116.45(18) . 3_455 ? S3 Sb2 Fe 81.0(2) 5_566 3_455 ? Sb2 Sb2 Fe 131.76(8) 5_567 3_455 ? Sb2 Sb2 Fe 103.68(9) 5_566 3_455 ? Fe Sb2 Fe 122.99(12) 1_556 3_455 ? Fe Sb2 Fe 96.77(10) . 3_455 ? Sb2 Sb2 Fe 115.15(5) 1_556 3_455 ? Sb2 Sb2 Fe 64.85(5) 1_554 3_455 ? S2 Sb2 Fe 139.86(12) 7_666 3_455 ? S4 Sb2 Fe 35.05(11) 3_456 3_455 ? Sb1 Sb2 Fe 150.21(5) 7_666 3_455 ? S1 Sb2 Fe 85.5(3) . 3_456 ? S2 Sb2 Fe 74.8(2) 3_455 3_456 ? S2 Sb2 Fe 26.0(3) 3_456 3_456 ? S3 Sb2 Fe 116.45(18) 1_556 3_456 ? S3 Sb2 Fe 162.1(3) . 3_456 ? S3 Sb2 Fe 81.0(2) 5_566 3_456 ? Sb2 Sb2 Fe 103.68(9) 5_567 3_456 ? Sb2 Sb2 Fe 131.76(8) 5_566 3_456 ? Fe Sb2 Fe 96.77(10) 1_556 3_456 ? Fe Sb2 Fe 122.99(12) . 3_456 ? Sb2 Sb2 Fe 64.85(5) 1_556 3_456 ? Sb2 Sb2 Fe 115.15(5) 1_554 3_456 ? S2 Sb2 Fe 139.86(12) 7_666 3_456 ? S4 Sb2 Fe 35.05(11) 3_456 3_456 ? Sb1 Sb2 Fe 150.21(5) 7_666 3_456 ? Fe Sb2 Fe 50.29(9) 3_455 3_456 ? S1 Sb2 S1 106.68(16) . 3_456 ? S2 Sb2 S1 48.84(15) 3_455 3_456 ? S2 Sb2 S1 48.84(15) 3_456 3_456 ? S3 Sb2 S1 143.08(9) 1_556 3_456 ? S3 Sb2 S1 143.08(9) . 3_456 ? S3 Sb2 S1 58.4(3) 5_566 3_456 ? Sb2 Sb2 S1 101.74(17) 5_567 3_456 ? Sb2 Sb2 S1 101.74(17) 5_566 3_456 ? Fe Sb2 S1 129.0(2) 1_556 3_456 ? Fe Sb2 S1 129.0(2) . 3_456 ? Sb2 Sb2 S1 90.000(1) 1_556 3_456 ? Sb2 Sb2 S1 90.000(1) 1_554 3_456 ? S2 Sb2 S1 126.0(2) 7_666 3_456 ? S4 Sb2 S1 46.9(2) 3_456 3_456 ? Sb1 Sb2 S1 174.9(2) 7_666 3_456 ? Fe Sb2 S1 32.71(13) 3_455 3_456 ? Fe Sb2 S1 32.71(13) 3_456 3_456 ? S1 Sb2 S1 57.05(14) . 1_556 ? S2 Sb2 S1 133.6(4) 3_455 1_556 ? S2 Sb2 S1 55.44(14) 3_456 1_556 ? S3 Sb2 S1 54.3(3) 1_556 1_556 ? S3 Sb2 S1 114.56(12) . 1_556 ? S3 Sb2 S1 121.71(10) 5_566 1_556 ? Sb2 Sb2 S1 88.91(19) 5_567 1_556 ? Sb2 Sb2 S1 146.0(2) 5_566 1_556 ? Fe Sb2 S1 34.04(9) 1_556 1_556 ? Fe Sb2 S1 90.80(10) . 1_556 ? Sb2 Sb2 S1 32.95(14) 1_556 1_556 ? Sb2 Sb2 S1 147.05(14) 1_554 1_556 ? S2 Sb2 S1 109.3(2) 7_666 1_556 ? S4 Sb2 S1 74.1(2) 3_456 1_556 ? Sb1 Sb2 S1 83.74(14) 7_666 1_556 ? Fe Sb2 S1 108.3(2) 3_455 1_556 ? Fe Sb2 S1 66.47(15) 3_456 1_556 ? S1 Sb2 S1 98.98(7) 3_456 1_556 ? S1 Sb2 S1 57.05(14) . 1_554 ? S2 Sb2 S1 55.44(14) 3_455 1_554 ? S2 Sb2 S1 133.6(4) 3_456 1_554 ? S3 Sb2 S1 114.56(12) 1_556 1_554 ? S3 Sb2 S1 54.3(3) . 1_554 ? S3 Sb2 S1 121.71(10) 5_566 1_554 ? Sb2 Sb2 S1 146.0(2) 5_567 1_554 ? Sb2 Sb2 S1 88.91(19) 5_566 1_554 ? Fe Sb2 S1 90.80(10) 1_556 1_554 ? Fe Sb2 S1 34.04(9) . 1_554 ? Sb2 Sb2 S1 147.05(14) 1_556 1_554 ? Sb2 Sb2 S1 32.95(14) 1_554 1_554 ? S2 Sb2 S1 109.3(2) 7_666 1_554 ? S4 Sb2 S1 74.1(2) 3_456 1_554 ? Sb1 Sb2 S1 83.74(14) 7_666 1_554 ? Fe Sb2 S1 66.47(15) 3_455 1_554 ? Fe Sb2 S1 108.3(2) 3_456 1_554 ? S1 Sb2 S1 98.98(7) 3_456 1_554 ? S1 Sb2 S1 114.1(3) 1_556 1_554 ? S1 Sb2 S4 46.4(4) . . ? S2 Sb2 S4 123.39(15) 3_455 . ? S2 Sb2 S4 123.39(15) 3_456 . ? S3 Sb2 S4 47.36(17) 1_556 . ? S3 Sb2 S4 47.36(17) . . ? S3 Sb2 S4 148.5(3) 5_566 . ? Sb2 Sb2 S4 101.5(2) 5_567 . ? Sb2 Sb2 S4 101.5(2) 5_566 . ? Fe Sb2 S4 33.93(11) 1_556 . ? Fe Sb2 S4 33.93(11) . . ? Sb2 Sb2 S4 90.000(1) 1_556 . ? Sb2 Sb2 S4 90.000(1) 1_554 . ? S2 Sb2 S4 81.0(2) 7_666 . ? S4 Sb2 S4 106.14(18) 3_456 . ? Sb1 Sb2 S4 32.1(2) 7_666 . ? Fe Sb2 S4 126.8(2) 3_455 . ? Fe Sb2 S4 126.8(2) 3_456 . ? S1 Sb2 S4 153.1(3) 3_456 . ? S1 Sb2 S4 67.96(12) 1_556 . ? S1 Sb2 S4 67.96(12) 1_554 . ? S1 Sb2 Sb1 138.3(3) . 3_455 ? S2 Sb2 Sb1 43.4(2) 3_455 3_455 ? S2 Sb2 Sb1 81.35(13) 3_456 3_455 ? S3 Sb2 Sb1 140.6(3) 1_556 3_455 ? S3 Sb2 Sb1 108.32(12) . 3_455 ? S3 Sb2 Sb1 30.60(17) 5_566 3_455 ? Sb2 Sb2 Sb1 82.83(7) 5_567 3_455 ? Sb2 Sb2 Sb1 59.08(6) 5_566 3_455 ? Fe Sb2 Sb1 170.76(10) 1_556 3_455 ? Fe Sb2 Sb1 126.91(3) . 3_455 ? Sb2 Sb2 Sb1 112.640(9) 1_556 3_455 ? Sb2 Sb2 Sb1 67.360(9) 1_554 3_455 ? S2 Sb2 Sb1 88.79(11) 7_666 3_455 ? S4 Sb2 Sb1 84.64(11) 3_456 3_455 ? Sb1 Sb2 Sb1 132.97(9) 7_666 3_455 ? Fe Sb2 Sb1 53.50(10) 3_455 3_455 ? Fe Sb2 Sb1 74.48(7) 3_456 3_455 ? S1 Sb2 Sb1 42.75(16) 3_456 3_455 ? S1 Sb2 Sb1 136.79(8) 1_556 3_455 ? S1 Sb2 Sb1 94.75(6) 1_554 3_455 ? S4 Sb2 Sb1 155.23(10) . 3_455 ? S1 Sb2 Sb1 138.3(3) . 3_456 ? S2 Sb2 Sb1 81.35(13) 3_455 3_456 ? S2 Sb2 Sb1 43.4(2) 3_456 3_456 ? S3 Sb2 Sb1 108.32(12) 1_556 3_456 ? S3 Sb2 Sb1 140.6(3) . 3_456 ? S3 Sb2 Sb1 30.60(17) 5_566 3_456 ? Sb2 Sb2 Sb1 59.08(6) 5_567 3_456 ? Sb2 Sb2 Sb1 82.83(7) 5_566 3_456 ? Fe Sb2 Sb1 126.91(3) 1_556 3_456 ? Fe Sb2 Sb1 170.76(10) . 3_456 ? Sb2 Sb2 Sb1 67.360(9) 1_556 3_456 ? Sb2 Sb2 Sb1 112.640(9) 1_554 3_456 ? S2 Sb2 Sb1 88.79(11) 7_666 3_456 ? S4 Sb2 Sb1 84.64(11) 3_456 3_456 ? Sb1 Sb2 Sb1 132.97(9) 7_666 3_456 ? Fe Sb2 Sb1 74.48(7) 3_455 3_456 ? Fe Sb2 Sb1 53.50(10) 3_456 3_456 ? S1 Sb2 Sb1 42.75(16) 3_456 3_456 ? S1 Sb2 Sb1 94.75(6) 1_556 3_456 ? S1 Sb2 Sb1 136.79(8) 1_554 3_456 ? S4 Sb2 Sb1 155.23(10) . 3_456 ? Sb1 Sb2 Sb1 45.280(18) 3_455 3_456 ? S1 Sb2 Sb1 37.6(2) . . ? S2 Sb2 Sb1 59.6(3) 3_455 . ? S2 Sb2 Sb1 93.1(4) 3_456 . ? S3 Sb2 Sb1 118.7(3) 1_556 . ? S3 Sb2 Sb1 92.0(3) . . ? S3 Sb2 Sb1 129.9(2) 5_566 . ? Sb2 Sb2 Sb1 171.57(9) 5_567 . ? Sb2 Sb2 Sb1 127.66(5) 5_566 . ? Fe Sb2 Sb1 78.66(14) 1_556 . ? Fe Sb2 Sb1 55.08(14) . . ? Sb2 Sb2 Sb1 111.98(3) 1_556 . ? Sb2 Sb2 Sb1 68.02(3) 1_554 . ? S2 Sb2 Sb1 149.77(6) 7_666 . ? S4 Sb2 Sb1 35.35(7) 3_456 . ? Sb1 Sb2 Sb1 108.30(5) 7_666 . ? Fe Sb2 Sb1 48.99(8) 3_455 . ? Fe Sb2 Sb1 70.23(11) 3_456 . ? S1 Sb2 Sb1 76.41(19) 3_456 . ? S1 Sb2 Sb1 83.3(2) 1_556 . ? S1 Sb2 Sb1 41.9(2) 1_554 . ? S4 Sb2 Sb1 78.6(2) . . ? Sb1 Sb2 Sb1 100.66(7) 3_455 . ? Sb1 Sb2 Sb1 118.23(8) 3_456 . ? S1 Sb2 Sb1 37.6(2) . 1_556 ? S2 Sb2 Sb1 93.1(4) 3_455 1_556 ? S2 Sb2 Sb1 59.6(3) 3_456 1_556 ? S3 Sb2 Sb1 92.0(3) 1_556 1_556 ? S3 Sb2 Sb1 118.7(3) . 1_556 ? S3 Sb2 Sb1 129.9(2) 5_566 1_556 ? Sb2 Sb2 Sb1 127.66(5) 5_567 1_556 ? Sb2 Sb2 Sb1 171.57(9) 5_566 1_556 ? Fe Sb2 Sb1 55.08(14) 1_556 1_556 ? Fe Sb2 Sb1 78.66(14) . 1_556 ? Sb2 Sb2 Sb1 68.02(3) 1_556 1_556 ? Sb2 Sb2 Sb1 111.98(3) 1_554 1_556 ? S2 Sb2 Sb1 149.77(6) 7_666 1_556 ? S4 Sb2 Sb1 35.35(7) 3_456 1_556 ? Sb1 Sb2 Sb1 108.30(5) 7_666 1_556 ? Fe Sb2 Sb1 70.23(11) 3_455 1_556 ? Fe Sb2 Sb1 48.99(8) 3_456 1_556 ? S1 Sb2 Sb1 76.41(19) 3_456 1_556 ? S1 Sb2 Sb1 41.9(2) 1_556 1_556 ? S1 Sb2 Sb1 83.3(2) 1_554 1_556 ? S4 Sb2 Sb1 78.6(2) . 1_556 ? Sb1 Sb2 Sb1 118.23(8) 3_455 1_556 ? Sb1 Sb2 Sb1 100.66(7) 3_456 1_556 ? Sb1 Sb2 Sb1 43.95(5) . 1_556 ? S1 Sb2 S3 130.19(14) . 5_565 ? S2 Sb2 S3 42.1(4) 3_455 5_565 ? S2 Sb2 S3 111.89(15) 3_456 5_565 ? S3 Sb2 S3 132.74(15) 1_556 5_565 ? S3 Sb2 S3 77.98(11) . 5_565 ? S3 Sb2 S3 48.10(8) 5_566 5_565 ? Sb2 Sb2 S3 88.29(18) 5_567 5_565 ? Sb2 Sb2 S3 38.54(18) 5_566 5_565 ? Fe Sb2 S3 158.63(10) 1_556 5_565 ? Fe Sb2 S3 100.59(7) . 5_565 ? Sb2 Sb2 S3 138.10(8) 1_556 5_565 ? Sb2 Sb2 S3 41.90(8) 1_554 5_565 ? S2 Sb2 S3 75.2(2) 7_666 5_565 ? S4 Sb2 S3 100.18(19) 3_456 5_565 ? Sb1 Sb2 S3 107.30(15) 7_666 5_565 ? Fe Sb2 S3 65.1(2) 3_455 5_565 ? Fe Sb2 S3 102.25(14) 3_456 5_565 ? S1 Sb2 S3 69.54(16) 3_456 5_565 ? S1 Sb2 S3 167.33(10) 1_556 5_565 ? S1 Sb2 S3 74.12(16) 1_554 5_565 ? S4 Sb2 S3 124.71(12) . 5_565 ? Sb1 Sb2 S3 30.54(7) 3_455 5_565 ? Sb1 Sb2 S3 73.25(5) 3_456 5_565 ? Sb1 Sb2 S3 98.61(17) . 5_565 ? Sb1 Sb2 S3 134.98(19) 1_556 5_565 ? S1 Sb2 S3 130.19(14) . 5_567 ? S2 Sb2 S3 111.89(15) 3_455 5_567 ? S2 Sb2 S3 42.1(4) 3_456 5_567 ? S3 Sb2 S3 77.98(11) 1_556 5_567 ? S3 Sb2 S3 132.74(15) . 5_567 ? S3 Sb2 S3 48.10(8) 5_566 5_567 ? Sb2 Sb2 S3 38.54(18) 5_567 5_567 ? Sb2 Sb2 S3 88.29(18) 5_566 5_567 ? Fe Sb2 S3 100.59(7) 1_556 5_567 ? Fe Sb2 S3 158.63(10) . 5_567 ? Sb2 Sb2 S3 41.90(8) 1_556 5_567 ? Sb2 Sb2 S3 138.10(8) 1_554 5_567 ? S2 Sb2 S3 75.2(2) 7_666 5_567 ? S4 Sb2 S3 100.18(19) 3_456 5_567 ? Sb1 Sb2 S3 107.30(15) 7_666 5_567 ? Fe Sb2 S3 102.25(14) 3_455 5_567 ? Fe Sb2 S3 65.1(2) 3_456 5_567 ? S1 Sb2 S3 69.54(16) 3_456 5_567 ? S1 Sb2 S3 74.12(16) 1_556 5_567 ? S1 Sb2 S3 167.33(10) 1_554 5_567 ? S4 Sb2 S3 124.71(12) . 5_567 ? Sb1 Sb2 S3 73.25(5) 3_455 5_567 ? Sb1 Sb2 S3 30.54(7) 3_456 5_567 ? Sb1 Sb2 S3 134.98(19) . 5_567 ? Sb1 Sb2 S3 98.61(17) 1_556 5_567 ? S3 Sb2 S3 96.21(16) 5_565 5_567 ? S1 Sb2 S2 22.11(16) . 1_556 ? S2 Sb2 S2 117.6(2) 3_455 1_556 ? S2 Sb2 S2 87.43(15) 3_456 1_556 ? S3 Sb2 S2 61.7(3) 1_556 1_556 ? S3 Sb2 S2 86.1(2) . 1_556 ? S3 Sb2 S2 159.54(7) 5_566 1_556 ? Sb2 Sb2 S2 116.60(12) 5_567 1_556 ? Sb2 Sb2 S2 142.31(15) 5_566 1_556 ? Fe Sb2 S2 20.9(2) 1_556 1_556 ? Fe Sb2 S2 53.61(9) . 1_556 ? Sb2 Sb2 S2 70.13(4) 1_556 1_556 ? Sb2 Sb2 S2 109.87(4) 1_554 1_556 ? S2 Sb2 S2 115.68(13) 7_666 1_556 ? S4 Sb2 S2 70.93(17) 3_456 1_556 ? Sb1 Sb2 S2 69.87(15) 7_666 1_556 ? Fe Sb2 S2 102.6(2) 3_455 1_556 ? Fe Sb2 S2 85.92(16) 3_456 1_556 ? S1 Sb2 S2 114.9(2) 3_456 1_556 ? S1 Sb2 S2 37.91(10) 1_556 1_556 ? S1 Sb2 S2 77.37(13) 1_554 1_556 ? S4 Sb2 S2 40.9(2) . 1_556 ? Sb1 Sb2 S2 155.52(19) 3_455 1_556 ? Sb1 Sb2 S2 130.43(8) 3_456 1_556 ? Sb1 Sb2 S2 58.10(13) . 1_556 ? Sb1 Sb2 S2 38.48(14) 1_556 1_556 ? S3 Sb2 S2 151.48(13) 5_565 1_556 ? S3 Sb2 S2 111.88(9) 5_567 1_556 ? S1 Sb2 S2 22.11(16) . . ? S2 Sb2 S2 87.43(15) 3_455 . ? S2 Sb2 S2 117.6(2) 3_456 . ? S3 Sb2 S2 86.1(2) 1_556 . ? S3 Sb2 S2 61.7(3) . . ? S3 Sb2 S2 159.54(7) 5_566 . ? Sb2 Sb2 S2 142.31(15) 5_567 . ? Sb2 Sb2 S2 116.60(12) 5_566 . ? Fe Sb2 S2 53.61(9) 1_556 . ? Fe Sb2 S2 20.9(2) . . ? Sb2 Sb2 S2 109.87(4) 1_556 . ? Sb2 Sb2 S2 70.13(4) 1_554 . ? S2 Sb2 S2 115.68(13) 7_666 . ? S4 Sb2 S2 70.93(17) 3_456 . ? Sb1 Sb2 S2 69.87(15) 7_666 . ? Fe Sb2 S2 85.92(16) 3_455 . ? Fe Sb2 S2 102.6(2) 3_456 . ? S1 Sb2 S2 114.9(2) 3_456 . ? S1 Sb2 S2 77.37(13) 1_556 . ? S1 Sb2 S2 37.91(10) 1_554 . ? S4 Sb2 S2 40.9(2) . . ? Sb1 Sb2 S2 130.43(8) 3_455 . ? Sb1 Sb2 S2 155.52(19) 3_456 . ? Sb1 Sb2 S2 38.48(14) . . ? Sb1 Sb2 S2 58.10(13) 1_556 . ? S3 Sb2 S2 111.88(9) 5_565 . ? S3 Sb2 S2 151.48(13) 5_567 . ? S2 Sb2 S2 39.73(7) 1_556 . ? S1 Sb2 S2 116.6(2) . 7_667 ? S2 Sb2 S2 147.0(2) 3_455 7_667 ? S2 Sb2 S2 80.0(4) 3_456 7_667 ? S3 Sb2 S2 37.3(2) 1_556 7_667 ? S3 Sb2 S2 90.6(2) . 7_667 ? S3 Sb2 S2 73.6(2) 5_566 7_667 ? Sb2 Sb2 S2 21.58(8) 5_567 7_667 ? Sb2 Sb2 S2 75.70(16) 5_566 7_667 ? Fe Sb2 S2 75.07(15) 1_556 7_667 ? Fe Sb2 S2 114.88(13) . 7_667 ? Sb2 Sb2 S2 47.50(12) 1_556 7_667 ? Sb2 Sb2 S2 132.50(12) 1_554 7_667 ? S2 Sb2 S2 42.50(12) 7_666 7_667 ? S4 Sb2 S2 137.02(12) 3_456 7_667 ? Sb1 Sb2 S2 61.01(8) 7_666 7_667 ? Fe Sb2 S2 148.29(7) 3_455 7_667 ? Fe Sb2 S2 106.05(11) 3_456 7_667 ? S1 Sb2 S2 115.66(15) 3_456 7_667 ? S1 Sb2 S2 71.1(2) 1_556 7_667 ? S1 Sb2 S2 144.11(19) 1_554 7_667 ? S4 Sb2 S2 83.36(16) . 7_667 ? Sb1 Sb2 S2 104.16(11) 3_455 7_667 ? Sb1 Sb2 S2 74.00(7) 3_456 7_667 ? Sb1 Sb2 S2 152.85(11) . 7_667 ? Sb1 Sb2 S2 112.59(12) 1_556 7_667 ? S3 Sb2 S2 108.3(2) 5_565 7_667 ? S3 Sb2 S2 46.29(15) 5_567 7_667 ? S2 Sb2 S2 95.16(5) 1_556 7_667 ? S2 Sb2 S2 123.31(7) . 7_667 ? S1 Sb2 S2 116.6(2) . 7_665 ? S2 Sb2 S2 80.0(4) 3_455 7_665 ? S2 Sb2 S2 147.0(2) 3_456 7_665 ? S3 Sb2 S2 90.6(2) 1_556 7_665 ? S3 Sb2 S2 37.3(2) . 7_665 ? S3 Sb2 S2 73.6(2) 5_566 7_665 ? Sb2 Sb2 S2 75.70(16) 5_567 7_665 ? Sb2 Sb2 S2 21.58(8) 5_566 7_665 ? Fe Sb2 S2 114.88(13) 1_556 7_665 ? Fe Sb2 S2 75.07(15) . 7_665 ? Sb2 Sb2 S2 132.50(12) 1_556 7_665 ? Sb2 Sb2 S2 47.50(12) 1_554 7_665 ? S2 Sb2 S2 42.50(12) 7_666 7_665 ? S4 Sb2 S2 137.02(12) 3_456 7_665 ? Sb1 Sb2 S2 61.01(8) 7_666 7_665 ? Fe Sb2 S2 106.05(11) 3_455 7_665 ? Fe Sb2 S2 148.29(7) 3_456 7_665 ? S1 Sb2 S2 115.66(15) 3_456 7_665 ? S1 Sb2 S2 144.1(2) 1_556 7_665 ? S1 Sb2 S2 71.1(2) 1_554 7_665 ? S4 Sb2 S2 83.36(16) . 7_665 ? Sb1 Sb2 S2 74.00(7) 3_455 7_665 ? Sb1 Sb2 S2 104.16(11) 3_456 7_665 ? Sb1 Sb2 S2 112.59(12) . 7_665 ? Sb1 Sb2 S2 152.85(11) 1_556 7_665 ? S3 Sb2 S2 46.29(14) 5_565 7_665 ? S3 Sb2 S2 108.3(2) 5_567 7_665 ? S2 Sb2 S2 123.31(7) 1_556 7_665 ? S2 Sb2 S2 95.16(5) . 7_665 ? S2 Sb2 S2 85.0(2) 7_667 7_665 ? S1 Sb2 Fe 180.0(3) . 5_566 ? S2 Sb2 Fe 83.6(3) 3_455 5_566 ? S2 Sb2 Fe 83.6(3) 3_456 5_566 ? S3 Sb2 Fe 98.9(3) 1_556 5_566 ? S3 Sb2 Fe 98.9(3) . 5_566 ? S3 Sb2 Fe 14.9(3) 5_566 5_566 ? Sb2 Sb2 Fe 41.84(6) 5_567 5_566 ? Sb2 Sb2 Fe 41.84(6) 5_566 5_566 ? Fe Sb2 Fe 138.50(10) 1_556 5_566 ? Fe Sb2 Fe 138.50(10) . 5_566 ? Sb2 Sb2 Fe 90.0 1_556 5_566 ? Sb2 Sb2 Fe 90.0 1_554 5_566 ? S2 Sb2 Fe 52.64(11) 7_666 5_566 ? S4 Sb2 Fe 120.25(11) 3_456 5_566 ? Sb1 Sb2 Fe 101.54(12) 7_666 5_566 ? Fe Sb2 Fe 94.51(3) 3_455 5_566 ? Fe Sb2 Fe 94.51(3) 3_456 5_566 ? S1 Sb2 Fe 73.3(2) 3_456 5_566 ? S1 Sb2 Fe 122.95(14) 1_556 5_566 ? S1 Sb2 Fe 122.95(14) 1_554 5_566 ? S4 Sb2 Fe 133.6(2) . 5_566 ? Sb1 Sb2 Fe 41.74(8) 3_455 5_566 ? Sb1 Sb2 Fe 41.74(8) 3_456 5_566 ? Sb1 Sb2 Fe 142.38(7) . 5_566 ? Sb1 Sb2 Fe 142.38(7) 1_556 5_566 ? S3 Sb2 Fe 49.81(13) 5_565 5_566 ? S3 Sb2 Fe 49.81(13) 5_567 5_566 ? S2 Sb2 Fe 157.88(11) 1_556 5_566 ? S2 Sb2 Fe 157.88(11) . 5_566 ? S2 Sb2 Fe 63.42(11) 7_667 5_566 ? S2 Sb2 Fe 63.42(11) 7_665 5_566 ? S1 Sb2 S4 67.9(2) . 3_455 ? S2 Sb2 S4 28.7(3) 3_455 3_455 ? S2 Sb2 S4 96.8(3) 3_456 3_455 ? S3 Sb2 S4 147.8(2) 1_556 3_455 ? S3 Sb2 S4 93.1(2) . 3_455 ? S3 Sb2 S4 101.4(2) 5_566 3_455 ? Sb2 Sb2 S4 153.80(9) 5_567 3_455 ? Sb2 Sb2 S4 102.98(13) 5_566 3_455 ? Fe Sb2 S4 109.35(16) 1_556 3_455 ? Fe Sb2 S4 70.32(12) . 3_455 ? Sb2 Sb2 S4 131.71(11) 1_556 3_455 ? Sb2 Sb2 S4 48.29(11) 1_554 3_455 ? S2 Sb2 S4 137.80(12) 7_666 3_455 ? S4 Sb2 S4 41.71(11) 3_456 3_455 ? Sb1 Sb2 S4 123.81(7) 7_666 3_455 ? Fe Sb2 S4 26.64(6) 3_455 3_455 ? Fe Sb2 S4 70.83(12) 3_456 3_455 ? S1 Sb2 S4 59.34(14) 3_456 3_455 ? S1 Sb2 S4 110.7(2) 1_556 3_455 ? S1 Sb2 S4 40.29(17) 1_554 3_455 ? S4 Sb2 S4 101.97(15) . 3_455 ? Sb1 Sb2 S4 70.99(10) 3_455 3_455 ? Sb1 Sb2 S4 100.75(8) 3_456 3_455 ? Sb1 Sb2 S4 30.92(10) . 3_455 ? Sb1 Sb2 S4 68.91(13) 1_556 3_455 ? S3 Sb2 S4 68.7(2) 5_565 3_455 ? S3 Sb2 S4 128.85(15) 5_567 3_455 ? S2 Sb2 S4 88.98(16) 1_556 3_455 ? S2 Sb2 S4 61.96(12) . 3_455 ? S2 Sb2 S4 174.67(8) 7_667 3_455 ? S2 Sb2 S4 95.54(17) 7_665 3_455 ? Fe Sb2 S4 112.09(10) 5_566 3_455 ? S1 Sb2 S4 67.9(2) . 3_457 ? S2 Sb2 S4 96.8(3) 3_455 3_457 ? S2 Sb2 S4 28.7(3) 3_456 3_457 ? S3 Sb2 S4 93.1(2) 1_556 3_457 ? S3 Sb2 S4 147.8(2) . 3_457 ? S3 Sb2 S4 101.4(2) 5_566 3_457 ? Sb2 Sb2 S4 102.98(13) 5_567 3_457 ? Sb2 Sb2 S4 153.80(9) 5_566 3_457 ? Fe Sb2 S4 70.32(12) 1_556 3_457 ? Fe Sb2 S4 109.35(16) . 3_457 ? Sb2 Sb2 S4 48.29(11) 1_556 3_457 ? Sb2 Sb2 S4 131.71(11) 1_554 3_457 ? S2 Sb2 S4 137.80(12) 7_666 3_457 ? S4 Sb2 S4 41.71(11) 3_456 3_457 ? Sb1 Sb2 S4 123.81(7) 7_666 3_457 ? Fe Sb2 S4 70.83(12) 3_455 3_457 ? Fe Sb2 S4 26.64(6) 3_456 3_457 ? S1 Sb2 S4 59.34(14) 3_456 3_457 ? S1 Sb2 S4 40.29(17) 1_556 3_457 ? S1 Sb2 S4 110.7(2) 1_554 3_457 ? S4 Sb2 S4 101.97(15) . 3_457 ? Sb1 Sb2 S4 100.75(8) 3_455 3_457 ? Sb1 Sb2 S4 70.99(10) 3_456 3_457 ? Sb1 Sb2 S4 68.91(13) . 3_457 ? Sb1 Sb2 S4 30.92(10) 1_556 3_457 ? S3 Sb2 S4 128.85(15) 5_565 3_457 ? S3 Sb2 S4 68.7(2) 5_567 3_457 ? S2 Sb2 S4 61.96(12) 1_556 3_457 ? S2 Sb2 S4 88.98(16) . 3_457 ? S2 Sb2 S4 95.54(17) 7_667 3_457 ? S2 Sb2 S4 174.67(8) 7_665 3_457 ? Fe Sb2 S4 112.09(10) 5_566 3_457 ? S4 Sb2 S4 83.4(2) 3_455 3_457 ? S1 Sb2 Sb1 81.3(2) . 7_667 ? S2 Sb2 Sb1 172.19(14) 3_455 7_667 ? S2 Sb2 Sb1 90.75(18) 3_456 7_667 ? S3 Sb2 Sb1 4.22(13) 1_556 7_667 ? S3 Sb2 Sb1 77.33(12) . 7_667 ? S3 Sb2 Sb1 109.7(2) 5_566 7_667 ? Sb2 Sb2 Sb1 57.30(5) 5_567 7_667 ? Sb2 Sb2 Sb1 96.88(12) 5_566 7_667 ? Fe Sb2 Sb1 40.33(13) 1_556 7_667 ? Fe Sb2 Sb1 83.88(7) . 7_667 ? Sb2 Sb2 Sb1 49.23(3) 1_556 7_667 ? Sb2 Sb2 Sb1 130.77(3) 1_554 7_667 ? S2 Sb2 Sb1 60.15(7) 7_666 7_667 ? S4 Sb2 Sb1 124.38(8) 3_456 7_667 ? Sb1 Sb2 Sb1 40.77(3) 7_666 7_667 ? Fe Sb2 Sb1 159.19(11) 3_455 7_667 ? Fe Sb2 Sb1 112.32(4) 3_456 7_667 ? S1 Sb2 Sb1 138.97(3) 3_456 7_667 ? S1 Sb2 Sb1 50.91(19) 1_556 7_667 ? S1 Sb2 Sb1 117.74(8) 1_554 7_667 ? S4 Sb2 Sb1 50.07(11) . 7_667 ? Sb1 Sb2 Sb1 140.14(8) 3_455 7_667 ? Sb1 Sb2 Sb1 105.36(4) 3_456 7_667 ? Sb1 Sb2 Sb1 118.83(5) . 7_667 ? Sb1 Sb2 Sb1 89.62(3) 1_556 7_667 ? S3 Sb2 Sb1 135.3(2) 5_565 7_667 ? S3 Sb2 Sb1 74.88(9) 5_567 7_667 ? S2 Sb2 Sb1 61.14(14) 1_556 7_667 ? S2 Sb2 Sb1 87.78(9) . 7_667 ? S2 Sb2 Sb1 36.08(8) 7_667 7_667 ? S2 Sb2 Sb1 94.25(11) 7_665 7_667 ? Fe Sb2 Sb1 98.72(8) 5_566 7_667 ? S4 Sb2 Sb1 148.87(10) 3_455 7_667 ? S4 Sb2 Sb1 89.26(9) 3_457 7_667 ? S1 Sb2 Sb1 81.3(2) . 7_665 ? S2 Sb2 Sb1 90.75(18) 3_455 7_665 ? S2 Sb2 Sb1 172.19(14) 3_456 7_665 ? S3 Sb2 Sb1 77.33(12) 1_556 7_665 ? S3 Sb2 Sb1 4.22(13) . 7_665 ? S3 Sb2 Sb1 109.7(2) 5_566 7_665 ? Sb2 Sb2 Sb1 96.88(12) 5_567 7_665 ? Sb2 Sb2 Sb1 57.30(5) 5_566 7_665 ? Fe Sb2 Sb1 83.88(7) 1_556 7_665 ? Fe Sb2 Sb1 40.33(13) . 7_665 ? Sb2 Sb2 Sb1 130.77(3) 1_556 7_665 ? Sb2 Sb2 Sb1 49.23(3) 1_554 7_665 ? S2 Sb2 Sb1 60.15(7) 7_666 7_665 ? S4 Sb2 Sb1 124.38(8) 3_456 7_665 ? Sb1 Sb2 Sb1 40.77(3) 7_666 7_665 ? Fe Sb2 Sb1 112.32(4) 3_455 7_665 ? Fe Sb2 Sb1 159.19(11) 3_456 7_665 ? S1 Sb2 Sb1 138.97(3) 3_456 7_665 ? S1 Sb2 Sb1 117.74(8) 1_556 7_665 ? S1 Sb2 Sb1 50.91(19) 1_554 7_665 ? S4 Sb2 Sb1 50.07(11) . 7_665 ? Sb1 Sb2 Sb1 105.36(4) 3_455 7_665 ? Sb1 Sb2 Sb1 140.14(8) 3_456 7_665 ? Sb1 Sb2 Sb1 89.62(3) . 7_665 ? Sb1 Sb2 Sb1 118.83(5) 1_556 7_665 ? S3 Sb2 Sb1 74.88(9) 5_565 7_665 ? S3 Sb2 Sb1 135.3(2) 5_567 7_665 ? S2 Sb2 Sb1 87.78(9) 1_556 7_665 ? S2 Sb2 Sb1 61.14(14) . 7_665 ? S2 Sb2 Sb1 94.25(11) 7_667 7_665 ? S2 Sb2 Sb1 36.08(8) 7_665 7_665 ? Fe Sb2 Sb1 98.72(8) 5_566 7_665 ? S4 Sb2 Sb1 89.26(9) 3_455 7_665 ? S4 Sb2 Sb1 148.87(10) 3_457 7_665 ? Sb1 Sb2 Sb1 81.53(5) 7_667 7_665 ? Sb2 S1 Fe 98.4(5) . 1_556 ? Sb2 S1 Fe 98.4(5) . . ? Fe S1 Fe 97.1(4) 1_556 . ? Sb2 S1 Sb1 116.68(19) . . ? Fe S1 Sb1 143.2(5) 1_556 . ? Fe S1 Sb1 88.8(3) . . ? Sb2 S1 Sb1 116.68(19) . 1_556 ? Fe S1 Sb1 88.8(3) 1_556 1_556 ? Fe S1 Sb1 143.2(5) . 1_556 ? Sb1 S1 Sb1 66.4(3) . 1_556 ? Sb2 S1 Sb2 165.7(5) . 3_556 ? Fe S1 Sb2 72.4(2) 1_556 3_556 ? Fe S1 Sb2 72.4(2) . 3_556 ? Sb1 S1 Sb2 74.9(2) . 3_556 ? Sb1 S1 Sb2 74.9(2) 1_556 3_556 ? Sb2 S1 Sb2 57.05(14) . 1_556 ? Fe S1 Sb2 56.69(15) 1_556 1_556 ? Fe S1 Sb2 135.1(6) . 1_556 ? Sb1 S1 Sb2 134.7(3) . 1_556 ? Sb1 S1 Sb2 77.57(9) 1_556 1_556 ? Sb2 S1 Sb2 121.80(7) 3_556 1_556 ? Sb2 S1 Sb2 57.05(14) . 1_554 ? Fe S1 Sb2 135.1(6) 1_556 1_554 ? Fe S1 Sb2 56.69(15) . 1_554 ? Sb1 S1 Sb2 77.57(9) . 1_554 ? Sb1 S1 Sb2 134.7(3) 1_556 1_554 ? Sb2 S1 Sb2 121.80(7) 3_556 1_554 ? Sb2 S1 Sb2 114.1(3) 1_556 1_554 ? Sb2 S1 Sb1 69.9(4) . 7_666 ? Fe S1 Sb1 56.2(4) 1_556 7_666 ? Fe S1 Sb1 56.2(4) . 7_666 ? Sb1 S1 Sb1 144.82(11) . 7_666 ? Sb1 S1 Sb1 144.82(11) 1_556 7_666 ? Sb2 S1 Sb1 95.75(15) 3_556 7_666 ? Sb2 S1 Sb1 79.2(2) 1_556 7_666 ? Sb2 S1 Sb1 79.2(2) 1_554 7_666 ? Sb2 S1 Fe 64.65(17) . 3_455 ? Fe S1 Fe 151.55(14) 1_556 3_455 ? Fe S1 Fe 107.56(10) . 3_455 ? Sb1 S1 Fe 53.43(14) . 3_455 ? Sb1 S1 Fe 80.0(2) 1_556 3_455 ? Sb2 S1 Fe 128.1(4) 3_556 3_455 ? Sb2 S1 Fe 95.18(9) 1_556 3_455 ? Sb2 S1 Fe 56.21(9) 1_554 3_455 ? Sb1 S1 Fe 128.4(3) 7_666 3_455 ? Sb2 S1 Fe 64.65(17) . 3_456 ? Fe S1 Fe 107.56(10) 1_556 3_456 ? Fe S1 Fe 151.55(14) . 3_456 ? Sb1 S1 Fe 80.0(2) . 3_456 ? Sb1 S1 Fe 53.43(14) 1_556 3_456 ? Sb2 S1 Fe 128.1(4) 3_556 3_456 ? Sb2 S1 Fe 56.21(9) 1_556 3_456 ? Sb2 S1 Fe 95.18(9) 1_554 3_456 ? Sb1 S1 Fe 128.4(3) 7_666 3_456 ? Fe S1 Fe 45.31(7) 3_455 3_456 ? Sb2 S1 Sb2 25.48(18) . 5_567 ? Fe S1 Sb2 73.0(4) 1_556 5_567 ? Fe S1 Sb2 101.3(5) . 5_567 ? Sb1 S1 Sb2 141.46(12) . 5_567 ? Sb1 S1 Sb2 115.17(10) 1_556 5_567 ? Sb2 S1 Sb2 143.6(2) 3_556 5_567 ? Sb2 S1 Sb2 40.14(14) 1_556 5_567 ? Sb2 S1 Sb2 77.4(2) 1_554 5_567 ? Sb1 S1 Sb2 54.98(18) 7_666 5_567 ? Fe S1 Sb2 88.20(16) 3_455 5_567 ? Fe S1 Sb2 73.59(15) 3_456 5_567 ? Fe S2 Sb2 127.0(4) . 3_556 ? Fe S2 Sb2 127.0(4) . 3 ? Sb2 S2 Sb2 96.9(4) 3_556 3 ? Fe S2 Sb1 88.25(19) . . ? Sb2 S2 Sb1 107.2(4) 3_556 . ? Sb2 S2 Sb1 107.2(4) 3 . ? Fe S2 Sb2 157.6(3) . 7_655 ? Sb2 S2 Sb2 63.2(3) 3_556 7_655 ? Sb2 S2 Sb2 63.2(3) 3 7_655 ? Sb1 S2 Sb2 69.4(3) . 7_655 ? Fe S2 Sb1 64.6(4) . 3 ? Sb2 S2 Sb1 90.4(3) 3_556 3 ? Sb2 S2 Sb1 90.4(3) 3 3 ? Sb1 S2 Sb1 152.9(4) . 3 ? Sb2 S2 Sb1 137.76(16) 7_655 3 ? Fe S2 Fe 57.12(19) . 1_556 ? Sb2 S2 Fe 72.45(14) 3_556 1_556 ? Sb2 S2 Fe 162.9(2) 3 1_556 ? Sb1 S2 Fe 89.05(10) . 1_556 ? Sb2 S2 Fe 120.1(2) 7_655 1_556 ? Sb1 S2 Fe 76.5(2) 3 1_556 ? Fe S2 Fe 57.12(19) . 1_554 ? Sb2 S2 Fe 162.9(2) 3_556 1_554 ? Sb2 S2 Fe 72.45(14) 3 1_554 ? Sb1 S2 Fe 89.05(10) . 1_554 ? Sb2 S2 Fe 120.1(2) 7_655 1_554 ? Sb1 S2 Fe 76.5(2) 3 1_554 ? Fe S2 Fe 114.2(4) 1_556 1_554 ? Fe S2 Fe 121.6(4) . 3 ? Sb2 S2 Fe 56.52(11) 3_556 3 ? Sb2 S2 Fe 56.52(11) 3 3 ? Sb1 S2 Fe 150.2(5) . 3 ? Sb2 S2 Fe 80.8(2) 7_655 3 ? Sb1 S2 Fe 56.98(14) 3 3 ? Fe S2 Fe 106.52(14) 1_556 3 ? Fe S2 Fe 106.52(14) 1_554 3 ? Fe S2 Sb1 88.81(13) . 1_554 ? Sb2 S2 Sb1 138.5(5) 3_556 1_554 ? Sb2 S2 Sb1 69.79(14) 3 1_554 ? Sb1 S2 Sb1 46.95(7) . 1_554 ? Sb2 S2 Sb1 76.1(2) 7_655 1_554 ? Sb1 S2 Sb1 127.4(2) 3 1_554 ? Fe S2 Sb1 127.04(12) 1_556 1_554 ? Fe S2 Sb1 51.32(10) 1_554 1_554 ? Fe S2 Sb1 126.30(15) 3 1_554 ? Fe S2 Sb1 88.81(13) . 1_556 ? Sb2 S2 Sb1 69.79(14) 3_556 1_556 ? Sb2 S2 Sb1 138.5(5) 3 1_556 ? Sb1 S2 Sb1 46.95(7) . 1_556 ? Sb2 S2 Sb1 76.1(2) 7_655 1_556 ? Sb1 S2 Sb1 127.4(2) 3 1_556 ? Fe S2 Sb1 51.32(10) 1_556 1_556 ? Fe S2 Sb1 127.04(12) 1_554 1_556 ? Fe S2 Sb1 126.30(15) 3 1_556 ? Sb1 S2 Sb1 93.91(15) 1_554 1_556 ? Fe S2 Sb2 33.25(12) . 1_554 ? Sb2 S2 Sb2 151.33(19) 3_556 1_554 ? Sb2 S2 Sb2 111.63(14) 3 1_554 ? Sb1 S2 Sb2 62.90(13) . 1_554 ? Sb2 S2 Sb2 127.6(2) 7_655 1_554 ? Sb1 S2 Sb2 91.7(3) 3 1_554 ? Fe S2 Sb2 80.29(19) 1_556 1_554 ? Fe S2 Sb2 42.32(9) 1_554 1_554 ? Fe S2 Sb2 143.6(3) 3 1_554 ? Sb1 S2 Sb2 55.99(7) 1_554 1_554 ? Sb1 S2 Sb2 86.41(8) 1_556 1_554 ? Fe S3 Sb1 95.8(2) . 7_666 ? Fe S3 Sb1 95.8(2) . 7_665 ? Sb1 S3 Sb1 91.7(3) 7_666 7_665 ? Fe S3 Sb2 82.4(4) . 1_554 ? Sb1 S3 Sb2 170.7(3) 7_666 1_554 ? Sb1 S3 Sb2 97.61(7) 7_665 1_554 ? Fe S3 Sb2 82.4(4) . . ? Sb1 S3 Sb2 97.61(7) 7_666 . ? Sb1 S3 Sb2 170.7(3) 7_665 . ? Sb2 S3 Sb2 73.1(2) 1_554 . ? Fe S3 Sb2 144.6(5) . 5_566 ? Sb1 S3 Sb2 108.5(4) 7_666 5_566 ? Sb1 S3 Sb2 108.5(4) 7_665 5_566 ? Sb2 S3 Sb2 69.38(14) 1_554 5_566 ? Sb2 S3 Sb2 69.38(14) . 5_566 ? Fe S3 Fe 56.67(19) . 1_554 ? Sb1 S3 Fe 130.92(17) 7_666 1_554 ? Sb1 S3 Fe 57.09(18) 7_665 1_554 ? Sb2 S3 Fe 55.25(15) 1_554 1_554 ? Sb2 S3 Fe 115.2(4) . 1_554 ? Sb2 S3 Fe 116.60(8) 5_566 1_554 ? Fe S3 Fe 56.67(19) . 1_556 ? Sb1 S3 Fe 57.09(18) 7_666 1_556 ? Sb1 S3 Fe 130.92(17) 7_665 1_556 ? Sb2 S3 Fe 115.2(4) 1_554 1_556 ? Sb2 S3 Fe 55.25(15) . 1_556 ? Sb2 S3 Fe 116.60(8) 5_566 1_556 ? Fe S3 Fe 113.3(4) 1_554 1_556 ? Fe S3 Sb1 54.35(15) . 3 ? Sb1 S3 Sb1 59.94(12) 7_666 3 ? Sb1 S3 Sb1 59.94(12) 7_665 3 ? Sb2 S3 Sb1 124.6(3) 1_554 3 ? Sb2 S3 Sb1 124.6(3) . 3 ? Sb2 S3 Sb1 161.1(5) 5_566 3 ? Fe S3 Sb1 71.32(12) 1_554 3 ? Fe S3 Sb1 71.32(12) 1_556 3 ? Fe S3 Sb2 123.0(3) . 5_565 ? Sb1 S3 Sb2 138.2(5) 7_666 5_565 ? Sb1 S3 Sb2 71.20(14) 7_665 5_565 ? Sb2 S3 Sb2 47.26(15) 1_554 5_565 ? Sb2 S3 Sb2 102.02(11) . 5_565 ? Sb2 S3 Sb2 48.10(8) 5_566 5_565 ? Fe S3 Sb2 71.16(7) 1_554 5_565 ? Fe S3 Sb2 157.1(2) 1_556 5_565 ? Sb1 S3 Sb2 129.18(8) 3 5_565 ? Fe S3 Sb2 123.0(3) . 5_567 ? Sb1 S3 Sb2 71.20(14) 7_666 5_567 ? Sb1 S3 Sb2 138.2(5) 7_665 5_567 ? Sb2 S3 Sb2 102.02(11) 1_554 5_567 ? Sb2 S3 Sb2 47.26(15) . 5_567 ? Sb2 S3 Sb2 48.10(8) 5_566 5_567 ? Fe S3 Sb2 157.1(2) 1_554 5_567 ? Fe S3 Sb2 71.16(7) 1_556 5_567 ? Sb1 S3 Sb2 129.18(8) 3 5_567 ? Sb2 S3 Sb2 96.21(16) 5_565 5_567 ? Fe S3 Fe 150.73(13) . 7_666 ? Sb1 S3 Fe 54.9(3) 7_666 7_666 ? Sb1 S3 Fe 87.2(4) 7_665 7_666 ? Sb2 S3 Fe 126.1(3) 1_554 7_666 ? Sb2 S3 Fe 98.8(2) . 7_666 ? Sb2 S3 Fe 58.4(2) 5_566 7_666 ? Fe S3 Fe 141.8(3) 1_554 7_666 ? Fe S3 Fe 99.97(14) 1_556 7_666 ? Sb1 S3 Fe 104.2(2) 3 7_666 ? Sb2 S3 Fe 85.6(2) 5_565 7_666 ? Sb2 S3 Fe 51.51(13) 5_567 7_666 ? Sb1 S4 Fe 95.2(3) 7_666 . ? Sb1 S4 Fe 95.2(3) 7_666 1_556 ? Fe S4 Fe 92.2(4) . 1_556 ? Sb1 S4 Sb1 101.3(4) 7_666 3_556 ? Fe S4 Sb1 162.8(6) . 3_556 ? Fe S4 Sb1 91.38(10) 1_556 3_556 ? Sb1 S4 Sb1 101.3(4) 7_666 3 ? Fe S4 Sb1 91.38(10) . 3 ? Fe S4 Sb1 162.8(6) 1_556 3 ? Sb1 S4 Sb1 80.52(14) 3_556 3 ? Sb1 S4 Sb2 168.2(3) 7_666 3_556 ? Fe S4 Sb2 76.8(4) . 3_556 ? Fe S4 Sb2 76.8(4) 1_556 3_556 ? Sb1 S4 Sb2 87.6(3) 3_556 3_556 ? Sb1 S4 Sb2 87.6(3) 3 3_556 ? Sb1 S4 Fe 61.1(3) 7_666 5_666 ? Fe S4 Fe 130.2(3) . 5_666 ? Fe S4 Fe 130.2(3) 1_556 5_666 ? Sb1 S4 Fe 56.6(2) 3_556 5_666 ? Sb1 S4 Fe 56.6(2) 3 5_666 ? Sb2 S4 Fe 130.70(16) 3_556 5_666 ? Sb1 S4 Sb1 56.25(17) 7_666 7_667 ? Fe S4 Sb1 130.46(19) . 7_667 ? Fe S4 Sb1 56.7(2) 1_556 7_667 ? Sb1 S4 Sb1 64.63(15) 3_556 7_667 ? Sb1 S4 Sb1 130.3(4) 3 7_667 ? Sb2 S4 Sb1 122.9(2) 3_556 7_667 ? Fe S4 Sb1 74.4(2) 5_666 7_667 ? Sb1 S4 Sb1 56.25(17) 7_666 7_665 ? Fe S4 Sb1 56.7(2) . 7_665 ? Fe S4 Sb1 130.46(19) 1_556 7_665 ? Sb1 S4 Sb1 130.3(4) 3_556 7_665 ? Sb1 S4 Sb1 64.63(15) 3 7_665 ? Sb2 S4 Sb1 122.9(2) 3_556 7_665 ? Fe S4 Sb1 74.4(2) 5_666 7_665 ? Sb1 S4 Sb1 112.5(3) 7_667 7_665 ? Sb1 S4 Sb2 67.17(13) 7_666 . ? Fe S4 Sb2 53.20(10) . . ? Fe S4 Sb2 53.20(10) 1_556 . ? Sb1 S4 Sb2 139.10(9) 3_556 . ? Sb1 S4 Sb2 139.10(9) 3 . ? Sb2 S4 Sb2 101.1(3) 3_556 . ? Fe S4 Sb2 128.3(4) 5_666 . ? Sb1 S4 Sb2 77.55(10) 7_667 . ? Sb1 S4 Sb2 77.55(10) 7_665 . ? Sb1 S4 Fe 148.0(3) 7_666 3_556 ? Fe S4 Fe 116.5(4) . 3_556 ? Fe S4 Fe 88.0(3) 1_556 3_556 ? Sb1 S4 Fe 46.8(2) 3_556 3_556 ? Sb1 S4 Fe 75.32(19) 3 3_556 ? Sb2 S4 Fe 41.69(13) 3_556 3_556 ? Fe S4 Fe 92.91(8) 5_666 3_556 ? Sb1 S4 Fe 101.17(7) 7_667 3_556 ? Sb1 S4 Fe 138.50(9) 7_665 3_556 ? Sb2 S4 Fe 135.0(3) . 3_556 ? Sb1 S4 Fe 148.0(3) 7_666 3 ? Fe S4 Fe 88.0(3) . 3 ? Fe S4 Fe 116.5(4) 1_556 3 ? Sb1 S4 Fe 75.32(19) 3_556 3 ? Sb1 S4 Fe 46.8(2) 3 3 ? Sb2 S4 Fe 41.69(13) 3_556 3 ? Fe S4 Fe 92.91(8) 5_666 3 ? Sb1 S4 Fe 138.50(9) 7_667 3 ? Sb1 S4 Fe 101.17(7) 7_665 3 ? Sb2 S4 Fe 135.0(3) . 3 ? Fe S4 Fe 39.01(9) 3_556 3 ? _diffrn_measured_fraction_theta_max 0.303 _diffrn_reflns_theta_full 29.71 _diffrn_measured_fraction_theta_full 0.303 _refine_diff_density_max 1.076 _refine_diff_density_min -1.142 _refine_diff_density_rms 0.297