data_cosalite_1_Felbertal _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Ag0.26 Bi8.16 Cu0.12 Pb7.70 S20' _chemical_formula_weight 3977.51 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' 'Cu' 'Cu' 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pb' 'Pb' -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Bi' 'Bi' -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pnma loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, -y, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x, y+1/2, -z' '-x, -y, -z' 'x-1/2, y, -z-1/2' '-x-1/2, y-1/2, z-1/2' 'x, -y-1/2, z' _cell_length_a 23.870(4) _cell_length_b 4.0647(6) _cell_length_c 19.130(3) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1856.1(5) _cell_formula_units_Z 2 _cell_measurement_temperature 570(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 7.117 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3289 _exptl_absorpt_coefficient_mu 74.621 _exptl_absorpt_correction_type ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 570(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 11003 _diffrn_reflns_av_R_equivalents 0.0783 _diffrn_reflns_av_sigmaI/netI 0.0460 _diffrn_reflns_limit_h_min -29 _diffrn_reflns_limit_h_max 29 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_k_max 4 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_theta_min 2.13 _diffrn_reflns_theta_max 26.67 _reflns_number_total 2065 _reflns_number_gt 1598 _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^)+(0.0542P)^2^+0.0000P] 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 0.00000(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 2065 _refine_ls_number_parameters 126 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0485 _refine_ls_R_factor_gt 0.0362 _refine_ls_wR_factor_ref 0.0974 _refine_ls_wR_factor_gt 0.0933 _refine_ls_goodness_of_fit_ref 1.007 _refine_ls_restrained_S_all 1.007 _refine_ls_shift/su_max 1.925 _refine_ls_shift/su_mean 0.019 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 Bi1 Bi 0.15479(3) 0.7500 0.98271(4) 0.0366(2) Uani 1 2 d S . . Bi2 Bi 0.30228(3) 0.7500 0.09385(5) 0.0391(2) Uani 1 2 d S . . Bi3 Bi 0.01046(3) 0.2500 0.09058(5) 0.0404(2) Uani 1 2 d S . . Bi4 Bi 0.17144(3) 0.2500 0.18658(4) 0.0381(2) Uani 1 2 d S . . Pb1 Pb 0.04032(4) 0.7500 0.27444(5) 0.0417(4) Uani 0.986(5) 2 d SP . . Ag1 Ag 0.04032(4) 0.7500 0.27444(5) 0.0417(4) Uani 0.014(5) 2 d SP . . Pb2 Pb 0.43393(4) 0.2500 0.03475(6) 0.0447(4) Uani 0.918(3) 2 d SP . . Pb3 Pb 0.20582(4) 0.7500 0.38343(5) 0.0477(3) Uani 1 2 d S . . Pb4 Pb 0.37335(4) 0.7500 0.29318(5) 0.0471(3) Uani 1 2 d S . . Cu1 Cu 0.419(3) 0.2500 0.978(3) 0.05(2) Uani 0.057(13) 2 d SP . . Cu2 Cu 0.452(2) 0.2500 0.110(4) 0.09(3) Uani 0.075(17) 2 d SP . . S1 S 0.1389(2) 0.2500 0.4776(3) 0.0406(12) Uani 1 2 d S . . S2 S 0.2293(2) 0.2500 0.0296(3) 0.0391(12) Uani 1 2 d S . . S3 S 0.9983(3) 0.7500 0.4140(3) 0.0457(13) Uani 1 2 d S . . S4 S 0.3636(2) 0.2500 0.1524(3) 0.0399(12) Uani 1 2 d S . . S5 S 0.4642(2) 0.2500 0.2819(3) 0.0387(12) Uani 1 2 d S . . S6 S 0.2379(2) 0.7500 0.2287(3) 0.0356(11) Uani 1 2 d S . . S7 S 0.0877(2) 0.7500 0.1295(3) 0.0389(12) Uani 1 2 d S . . S8 S 0.1247(2) 0.2500 0.3075(3) 0.0368(11) Uani 1 2 d S . . S9 S 0.2956(2) 0.2500 0.3616(3) 0.0367(11) Uani 1 2 d S . . S10 S 0.4165(2) 0.7500 0.4342(3) 0.0403(12) Uani 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 Bi1 0.0368(4) 0.0390(5) 0.0339(5) 0.000 -0.0009(3) 0.000 Bi2 0.0383(4) 0.0418(5) 0.0371(5) 0.000 -0.0001(3) 0.000 Bi3 0.0405(5) 0.0407(5) 0.0399(5) 0.000 -0.0013(3) 0.000 Bi4 0.0387(4) 0.0405(5) 0.0352(5) 0.000 0.0009(3) 0.000 Pb1 0.0407(5) 0.0430(6) 0.0414(6) 0.000 0.0001(4) 0.000 Ag1 0.0407(5) 0.0430(6) 0.0414(6) 0.000 0.0001(4) 0.000 Pb2 0.0415(6) 0.0458(6) 0.0467(9) 0.000 -0.0018(4) 0.000 Pb3 0.0476(5) 0.0452(5) 0.0504(6) 0.000 0.0005(4) 0.000 Pb4 0.0507(5) 0.0482(5) 0.0424(5) 0.000 0.0007(4) 0.000 Cu1 0.08(4) 0.04(3) 0.04(4) 0.000 0.02(3) 0.000 Cu2 0.05(3) 0.07(4) 0.16(8) 0.000 0.03(3) 0.000 S1 0.042(3) 0.043(3) 0.037(3) 0.000 -0.001(2) 0.000 S2 0.037(3) 0.039(3) 0.042(3) 0.000 -0.005(2) 0.000 S3 0.048(3) 0.045(3) 0.045(3) 0.000 0.004(3) 0.000 S4 0.040(3) 0.044(3) 0.036(3) 0.000 -0.003(2) 0.000 S5 0.038(3) 0.037(3) 0.041(3) 0.000 -0.005(2) 0.000 S6 0.035(2) 0.034(3) 0.038(3) 0.000 0.000(2) 0.000 S7 0.040(3) 0.038(3) 0.039(3) 0.000 -0.001(2) 0.000 S8 0.037(3) 0.040(3) 0.033(3) 0.000 0.002(2) 0.000 S9 0.034(2) 0.041(3) 0.035(3) 0.000 -0.001(2) 0.000 S10 0.037(3) 0.042(3) 0.041(3) 0.000 -0.001(2) 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 Bi1 S9 2.603(6) 2_565 ? Bi1 S10 2.808(4) 2_565 ? Bi1 S10 2.808(4) 2_575 ? Bi1 S2 2.846(4) 1_566 ? Bi1 S2 2.846(4) 1_556 ? Bi2 S1 2.629(6) 2_564 ? Bi2 S4 2.743(4) 1_565 ? Bi2 S4 2.743(4) . ? Bi2 S2 2.945(4) . ? Bi2 S2 2.945(4) 1_565 ? Bi2 S6 3.002(6) . ? Bi3 S5 2.678(6) 6_556 ? Bi3 S7 2.843(4) . ? Bi3 S7 2.843(4) 1_545 ? Bi3 S10 3.064(4) 6_546 ? Bi3 S10 3.064(4) 6_556 ? Bi4 S8 2.568(5) . ? Bi4 S6 2.702(4) . ? Bi4 S6 2.702(4) 1_545 ? Bi4 S7 3.053(4) 1_545 ? Bi4 S7 3.053(4) . ? Pb1 S3 2.851(6) 1_455 ? Pb1 S8 2.931(4) 1_565 ? Pb1 S8 2.931(4) . ? Pb1 S5 2.932(4) 6_556 ? Pb1 S5 2.932(4) 6_566 ? Pb1 S7 2.995(6) . ? Pb2 Cu1 1.15(6) 1_554 ? Pb2 Cu2 1.51(9) . ? Pb2 S3 2.731(4) 6_556 ? Pb2 S3 2.731(4) 6_546 ? Pb2 S4 2.808(6) . ? Pb2 S3 2.820(6) 2_664 ? Pb2 S1 2.890(4) 2_554 ? Pb2 S1 2.890(4) 2_564 ? Pb3 S9 2.982(4) 1_565 ? Pb3 S9 2.982(4) . ? Pb3 S6 3.059(6) . ? Pb4 S10 2.888(6) . ? Pb4 S5 2.979(4) 1_565 ? Pb4 S5 2.979(4) . ? Pb4 S9 3.048(4) 1_565 ? Pb4 S9 3.048(4) . ? Cu1 Pb2 1.15(6) 1_556 ? Cu1 S3 2.33(5) 2_665 ? Cu1 S1 2.45(3) 2 ? Cu1 S1 2.45(3) 2_565 ? Cu1 Cu2 2.66(11) 1_556 ? Cu2 S4 2.25(5) . ? Cu2 S3 2.37(3) 6_556 ? Cu2 S3 2.37(3) 6_546 ? Cu2 Cu1 2.66(11) 1_554 ? S1 Cu1 2.45(3) 2_554 ? S1 Cu1 2.45(3) 2_564 ? S1 Bi2 2.629(6) 2_565 ? S1 Pb2 2.890(4) 2 ? S1 Pb2 2.890(4) 2_565 ? S2 Bi1 2.846(4) 1_544 ? S2 Bi1 2.846(4) 1_554 ? S2 Bi2 2.945(4) 1_545 ? S3 Cu1 2.33(5) 2_664 ? S3 Cu2 2.37(3) 6_656 ? S3 Cu2 2.37(3) 6_666 ? S3 Pb2 2.731(4) 6_656 ? S3 Pb2 2.731(4) 6_666 ? S3 Pb2 2.820(6) 2_665 ? S3 Pb1 2.851(6) 1_655 ? S3 Ag1 2.851(6) 1_655 ? S4 Bi2 2.743(4) 1_545 ? S5 Bi3 2.678(6) 6_656 ? S5 Ag1 2.932(4) 6_656 ? S5 Pb1 2.932(4) 6_656 ? S5 Ag1 2.932(4) 6_646 ? S5 Pb1 2.932(4) 6_646 ? S5 Pb4 2.979(4) 1_545 ? S6 Bi4 2.702(4) 1_565 ? S7 Bi3 2.843(4) 1_565 ? S7 Bi4 3.053(4) 1_565 ? S8 Ag1 2.931(4) 1_545 ? S8 Pb1 2.931(4) 1_545 ? S9 Bi1 2.603(6) 2_564 ? S9 Pb3 2.982(4) 1_545 ? S9 Pb4 3.048(4) 1_545 ? S10 Bi1 2.808(4) 2_564 ? S10 Bi1 2.808(4) 2_574 ? S10 Bi3 3.064(4) 6_666 ? S10 Bi3 3.064(4) 6_656 ? 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 S9 Bi1 S10 88.96(15) 2_565 2_565 ? S9 Bi1 S10 88.96(14) 2_565 2_575 ? S10 Bi1 S10 92.75(17) 2_565 2_575 ? S9 Bi1 S2 89.78(15) 2_565 1_566 ? S10 Bi1 S2 178.49(16) 2_565 1_566 ? S10 Bi1 S2 88.05(11) 2_575 1_566 ? S9 Bi1 S2 89.78(14) 2_565 1_556 ? S10 Bi1 S2 88.05(11) 2_565 1_556 ? S10 Bi1 S2 178.49(16) 2_575 1_556 ? S2 Bi1 S2 91.12(15) 1_566 1_556 ? S1 Bi2 S4 93.47(14) 2_564 1_565 ? S1 Bi2 S4 93.47(14) 2_564 . ? S4 Bi2 S4 95.61(17) 1_565 . ? S1 Bi2 S2 87.86(15) 2_564 . ? S4 Bi2 S2 175.56(12) 1_565 . ? S4 Bi2 S2 88.54(11) . . ? S1 Bi2 S2 87.86(15) 2_564 1_565 ? S4 Bi2 S2 88.54(11) 1_565 1_565 ? S4 Bi2 S2 175.56(12) . 1_565 ? S2 Bi2 S2 87.28(15) . 1_565 ? S1 Bi2 S6 178.52(16) 2_564 . ? S4 Bi2 S6 85.54(14) 1_565 . ? S4 Bi2 S6 85.54(14) . . ? S2 Bi2 S6 93.21(13) . . ? S2 Bi2 S6 93.21(13) 1_565 . ? S5 Bi3 S7 91.67(15) 6_556 . ? S5 Bi3 S7 91.67(15) 6_556 1_545 ? S7 Bi3 S7 91.26(16) . 1_545 ? S5 Bi3 S10 80.74(14) 6_556 6_546 ? S7 Bi3 S10 171.68(15) . 6_546 ? S7 Bi3 S10 92.37(10) 1_545 6_546 ? S5 Bi3 S10 80.74(14) 6_556 6_556 ? S7 Bi3 S10 92.37(10) . 6_556 ? S7 Bi3 S10 171.68(15) 1_545 6_556 ? S10 Bi3 S10 83.09(14) 6_546 6_556 ? S8 Bi4 S6 89.24(14) . . ? S8 Bi4 S6 89.24(14) . 1_545 ? S6 Bi4 S6 97.58(17) . 1_545 ? S8 Bi4 S7 92.19(14) . 1_545 ? S6 Bi4 S7 172.84(12) . 1_545 ? S6 Bi4 S7 89.46(11) 1_545 1_545 ? S8 Bi4 S7 92.19(14) . . ? S6 Bi4 S7 89.46(11) . . ? S6 Bi4 S7 172.84(12) 1_545 . ? S7 Bi4 S7 83.48(14) 1_545 . ? S3 Pb1 S8 92.27(14) 1_455 1_565 ? S3 Pb1 S8 92.27(14) 1_455 . ? S8 Pb1 S8 87.80(15) 1_565 . ? S3 Pb1 S5 97.25(14) 1_455 6_556 ? S8 Pb1 S5 170.47(16) 1_565 6_556 ? S8 Pb1 S5 91.43(10) . 6_556 ? S3 Pb1 S5 97.25(14) 1_455 6_566 ? S8 Pb1 S5 91.43(10) 1_565 6_566 ? S8 Pb1 S5 170.47(16) . 6_566 ? S5 Pb1 S5 87.76(16) 6_556 6_566 ? S3 Pb1 S7 178.39(17) 1_455 . ? S8 Pb1 S7 86.58(13) 1_565 . ? S8 Pb1 S7 86.58(13) . . ? S5 Pb1 S7 83.90(14) 6_556 . ? S5 Pb1 S7 83.90(14) 6_566 . ? Cu1 Pb2 Cu2 177(3) 1_554 . ? Cu1 Pb2 S3 121.4(14) 1_554 6_556 ? Cu2 Pb2 S3 59.9(9) . 6_556 ? Cu1 Pb2 S3 121.4(14) 1_554 6_546 ? Cu2 Pb2 S3 59.9(9) . 6_546 ? S3 Pb2 S3 96.20(19) 6_556 6_546 ? Cu1 Pb2 S4 125(3) 1_554 . ? Cu2 Pb2 S4 52.8(18) . . ? S3 Pb2 S4 92.80(16) 6_556 . ? S3 Pb2 S4 92.80(16) 6_546 . ? Cu1 Pb2 S3 54(3) 1_554 2_664 ? Cu2 Pb2 S3 128.9(18) . 2_664 ? S3 Pb2 S3 88.37(16) 6_556 2_664 ? S3 Pb2 S3 88.37(16) 6_546 2_664 ? S4 Pb2 S3 178.25(17) . 2_664 ? Cu1 Pb2 S1 56.5(15) 1_554 2_554 ? Cu2 Pb2 S1 122.0(10) . 2_554 ? S3 Pb2 S1 176.58(13) 6_556 2_554 ? S3 Pb2 S1 87.21(12) 6_546 2_554 ? S4 Pb2 S1 86.75(14) . 2_554 ? S3 Pb2 S1 92.01(15) 2_664 2_554 ? Cu1 Pb2 S1 56.5(15) 1_554 2_564 ? Cu2 Pb2 S1 122.0(10) . 2_564 ? S3 Pb2 S1 87.21(12) 6_556 2_564 ? S3 Pb2 S1 176.58(13) 6_546 2_564 ? S4 Pb2 S1 86.75(14) . 2_564 ? S3 Pb2 S1 92.01(15) 2_664 2_564 ? S1 Pb2 S1 89.38(16) 2_554 2_564 ? S9 Pb3 S9 85.91(14) 1_565 . ? S9 Pb3 S6 71.59(13) 1_565 . ? S9 Pb3 S6 71.59(13) . . ? S10 Pb4 S5 78.95(14) . 1_565 ? S10 Pb4 S5 78.95(14) . . ? S5 Pb4 S5 86.02(14) 1_565 . ? S10 Pb4 S9 79.39(13) . 1_565 ? S5 Pb4 S9 91.12(10) 1_565 1_565 ? S5 Pb4 S9 158.30(16) . 1_565 ? S10 Pb4 S9 79.39(13) . . ? S5 Pb4 S9 158.30(16) 1_565 . ? S5 Pb4 S9 91.12(10) . . ? S9 Pb4 S9 83.64(14) 1_565 . ? Pb2 Cu1 S3 103(4) 1_556 2_665 ? Pb2 Cu1 S1 100.5(19) 1_556 2 ? S3 Cu1 S1 118.3(12) 2_665 2 ? Pb2 Cu1 S1 100.5(19) 1_556 2_565 ? S3 Cu1 S1 118.3(12) 2_665 2_565 ? S1 Cu1 S1 112(2) 2 2_565 ? Pb2 Cu1 Cu2 1.5(19) 1_556 1_556 ? S3 Cu1 Cu2 104(3) 2_665 1_556 ? S1 Cu1 Cu2 99.7(16) 2 1_556 ? S1 Cu1 Cu2 99.7(16) 2_565 1_556 ? Pb2 Cu2 S4 95(3) . . ? Pb2 Cu2 S3 87(2) . 6_556 ? S4 Cu2 S3 120.8(10) . 6_556 ? Pb2 Cu2 S3 87(2) . 6_546 ? S4 Cu2 S3 120.8(10) . 6_546 ? S3 Cu2 S3 118(2) 6_556 6_546 ? Pb2 Cu2 Cu1 1.1(14) . 1_554 ? S4 Cu2 Cu1 94(3) . 1_554 ? S3 Cu2 Cu1 87(2) 6_556 1_554 ? S3 Cu2 Cu1 87(2) 6_546 1_554 ? Cu1 S1 Cu1 112(2) 2_554 2_564 ? Cu1 S1 Bi2 107.2(12) 2_554 2_565 ? Cu1 S1 Bi2 107.2(12) 2_564 2_565 ? Cu1 S1 Pb2 23.0(14) 2_554 2 ? Cu1 S1 Pb2 104.2(14) 2_564 2 ? Bi2 S1 Pb2 90.07(15) 2_565 2 ? Cu1 S1 Pb2 104.2(14) 2_554 2_565 ? Cu1 S1 Pb2 23.0(14) 2_564 2_565 ? Bi2 S1 Pb2 90.07(15) 2_565 2_565 ? Pb2 S1 Pb2 89.38(16) 2 2_565 ? Bi1 S2 Bi1 91.12(15) 1_544 1_554 ? Bi1 S2 Bi2 173.7(2) 1_544 . ? Bi1 S2 Bi2 90.48(2) 1_554 . ? Bi1 S2 Bi2 90.48(2) 1_544 1_545 ? Bi1 S2 Bi2 173.7(2) 1_554 1_545 ? Bi2 S2 Bi2 87.28(15) . 1_545 ? Cu1 S3 Cu2 120.4(12) 2_664 6_656 ? Cu1 S3 Cu2 120.4(12) 2_664 6_666 ? Cu2 S3 Cu2 118(2) 6_656 6_666 ? Cu1 S3 Pb2 106.9(10) 2_664 6_656 ? Cu2 S3 Pb2 33(2) 6_656 6_656 ? Cu2 S3 Pb2 116.4(13) 6_666 6_656 ? Cu1 S3 Pb2 106.9(10) 2_664 6_666 ? Cu2 S3 Pb2 116.4(13) 6_656 6_666 ? Cu2 S3 Pb2 33(2) 6_666 6_666 ? Pb2 S3 Pb2 96.20(19) 6_656 6_666 ? Cu1 S3 Pb2 23.4(16) 2_664 2_665 ? Cu2 S3 Pb2 115.7(16) 6_656 2_665 ? Cu2 S3 Pb2 115.6(16) 6_666 2_665 ? Pb2 S3 Pb2 91.63(16) 6_656 2_665 ? Pb2 S3 Pb2 91.63(16) 6_666 2_665 ? Cu1 S3 Pb1 101.0(16) 2_664 1_655 ? Cu2 S3 Pb1 89(2) 6_656 1_655 ? Cu2 S3 Pb1 89(2) 6_666 1_655 ? Pb2 S3 Pb1 122.29(15) 6_656 1_655 ? Pb2 S3 Pb1 122.29(15) 6_666 1_655 ? Pb2 S3 Pb1 124.4(2) 2_665 1_655 ? Cu1 S3 Ag1 101.0(16) 2_664 1_655 ? Cu2 S3 Ag1 89(2) 6_656 1_655 ? Cu2 S3 Ag1 89(2) 6_666 1_655 ? Pb2 S3 Ag1 122.29(15) 6_656 1_655 ? Pb2 S3 Ag1 122.29(15) 6_666 1_655 ? Pb2 S3 Ag1 124.4(2) 2_665 1_655 ? Pb1 S3 Ag1 0.000(13) 1_655 1_655 ? Cu2 S4 Bi2 110.6(13) . 1_545 ? Cu2 S4 Bi2 110.6(13) . . ? Bi2 S4 Bi2 95.61(17) 1_545 . ? Cu2 S4 Pb2 32(2) . . ? Bi2 S4 Pb2 89.54(15) 1_545 . ? Bi2 S4 Pb2 89.54(15) . . ? Bi3 S5 Ag1 94.54(14) 6_656 6_656 ? Bi3 S5 Pb1 94.54(14) 6_656 6_656 ? Ag1 S5 Pb1 0.00(4) 6_656 6_656 ? Bi3 S5 Ag1 94.54(14) 6_656 6_646 ? Ag1 S5 Ag1 87.76(16) 6_656 6_646 ? Pb1 S5 Ag1 87.76(16) 6_656 6_646 ? Bi3 S5 Pb1 94.54(14) 6_656 6_646 ? Ag1 S5 Pb1 87.76(16) 6_656 6_646 ? Pb1 S5 Pb1 87.76(16) 6_656 6_646 ? Ag1 S5 Pb1 0.00(4) 6_646 6_646 ? Bi3 S5 Pb4 103.55(16) 6_656 1_545 ? Ag1 S5 Pb4 161.9(2) 6_656 1_545 ? Pb1 S5 Pb4 161.9(2) 6_656 1_545 ? Ag1 S5 Pb4 90.28(4) 6_646 1_545 ? Pb1 S5 Pb4 90.28(4) 6_646 1_545 ? Bi3 S5 Pb4 103.55(16) 6_656 . ? Ag1 S5 Pb4 90.28(4) 6_656 . ? Pb1 S5 Pb4 90.28(4) 6_656 . ? Ag1 S5 Pb4 161.9(2) 6_646 . ? Pb1 S5 Pb4 161.9(2) 6_646 . ? Pb4 S5 Pb4 86.02(14) 1_545 . ? Bi4 S6 Bi4 97.58(17) . 1_565 ? Bi4 S6 Bi2 92.56(14) . . ? Bi4 S6 Bi2 92.56(14) 1_565 . ? Bi4 S6 Pb3 98.11(14) . . ? Bi4 S6 Pb3 98.11(14) 1_565 . ? Bi2 S6 Pb3 163.8(2) . . ? Bi3 S7 Bi3 91.26(16) . 1_565 ? Bi3 S7 Pb1 89.85(13) . . ? Bi3 S7 Pb1 89.85(13) 1_565 . ? Bi3 S7 Bi4 173.8(2) . 1_565 ? Bi3 S7 Bi4 92.43(2) 1_565 1_565 ? Pb1 S7 Bi4 85.18(13) . 1_565 ? Bi3 S7 Bi4 92.43(2) . . ? Bi3 S7 Bi4 173.8(2) 1_565 . ? Pb1 S7 Bi4 85.18(13) . . ? Bi4 S7 Bi4 83.48(14) 1_565 . ? Bi4 S8 Ag1 95.97(15) . 1_545 ? Bi4 S8 Pb1 95.97(15) . 1_545 ? Ag1 S8 Pb1 0.00(4) 1_545 1_545 ? Bi4 S8 Pb1 95.97(15) . . ? Ag1 S8 Pb1 87.80(15) 1_545 . ? Pb1 S8 Pb1 87.80(15) 1_545 . ? Bi1 S9 Pb3 101.67(15) 2_564 1_545 ? Bi1 S9 Pb3 101.67(15) 2_564 . ? Pb3 S9 Pb3 85.91(14) 1_545 . ? Bi1 S9 Pb4 96.02(13) 2_564 . ? Pb3 S9 Pb4 162.2(2) 1_545 . ? Pb3 S9 Pb4 92.49(4) . . ? Bi1 S9 Pb4 96.02(13) 2_564 1_545 ? Pb3 S9 Pb4 92.49(4) 1_545 1_545 ? Pb3 S9 Pb4 162.2(2) . 1_545 ? Pb4 S9 Pb4 83.64(14) . 1_545 ? Bi1 S10 Bi1 92.75(17) 2_564 2_574 ? Bi1 S10 Pb4 95.31(15) 2_564 . ? Bi1 S10 Pb4 95.31(15) 2_574 . ? Bi1 S10 Bi3 167.1(2) 2_564 6_666 ? Bi1 S10 Bi3 90.84(3) 2_574 6_666 ? Pb4 S10 Bi3 96.66(15) . 6_666 ? Bi1 S10 Bi3 90.84(3) 2_564 6_656 ? Bi1 S10 Bi3 167.1(2) 2_574 6_656 ? Pb4 S10 Bi3 96.66(15) . 6_656 ? Bi3 S10 Bi3 83.09(14) 6_666 6_656 ? _diffrn_measured_fraction_theta_max 0.921 _diffrn_reflns_theta_full 26.67 _diffrn_measured_fraction_theta_full 0.921 _refine_diff_density_max 2.148 _refine_diff_density_min -1.754 _refine_diff_density_rms 0.547