 
data_polloneite_p21 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Ag2 As25.72 Pb43.55 S120 Sb24.73' 
_chemical_formula_weight          18023.88 
 
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' 
 'As'  'As'   0.0499   2.0058 
 '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' 
 'Sb'  'Sb'  -0.5866   1.5461 
 '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' 
 
_symmetry_cell_setting            ? 
_symmetry_space_group_name_H-M    ? 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
 
_cell_length_a                    8.4130(17) 
_cell_length_b                    25.901(5) 
_cell_length_c                    23.817(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.01(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      5189.8(18) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     5.767 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              7695 
_exptl_absorpt_coefficient_mu     43.802 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             45627 
_diffrn_reflns_av_R_equivalents   0.1165 
_diffrn_reflns_av_sigmaI/netI     0.1003 
_diffrn_reflns_limit_h_min        -9 
_diffrn_reflns_limit_h_max        9 
_diffrn_reflns_limit_k_min        -28 
_diffrn_reflns_limit_k_max        28 
_diffrn_reflns_limit_l_min        -26 
_diffrn_reflns_limit_l_max        26 
_diffrn_reflns_theta_min          1.16 
_diffrn_reflns_theta_max          23.29 
_reflns_number_total              14951 
_reflns_number_gt                 9818 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0221P)²+0.0000P] where P=(Fo²+2Fc²)/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        0.000018(2) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.00 
_refine_ls_number_reflns          14951 
_refine_ls_number_parameters      691 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0796 
_refine_ls_R_factor_gt            0.0473 
_refine_ls_wR_factor_ref          0.1075 
_refine_ls_wR_factor_gt           0.0934 
_refine_ls_goodness_of_fit_ref    0.872 
_refine_ls_restrained_S_all       0.872 
_refine_ls_shift/su_max           0.104 
_refine_ls_shift/su_mean          0.020 
 
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 
Pb13 Pb 0.3775(4) 0.39414(13) 0.10521(14) 0.0245(8) Uani 1 1 d . . . 
Pb15 Pb 0.3733(4) 0.39780(14) 0.43428(16) 0.0185(9) Uani 0.612(11) 1 d P . . 
Sb17 Sb 0.3733(4) 0.39780(14) 0.43428(16) 0.0185(9) Uani 0.388(11) 1 d P . . 
Pb6 Pb 0.8735(4) 0.17399(15) 0.48950(15) 0.0351(10) Uani 1 1 d . . . 
Pb18 Pb 0.3621(4) 0.39301(13) 0.77021(14) 0.0245(8) Uani 1 1 d . . . 
Pb14 Pb 0.6228(4) 0.54377(14) 0.39512(14) 0.0294(9) Uani 1 1 d . . . 
Pb20 Pb 0.1097(4) 0.53925(14) 0.06961(15) 0.0224(9) Uani 0.791(11) 1 d P . . 
Sb20 Sb 0.1097(4) 0.53925(14) 0.06961(15) 0.0224(9) Uani 0.209(11) 1 d P . . 
Pb1 Pb 0.3775(5) 0.17275(16) 0.15745(17) 0.0410(10) Uani 1 1 d . . . 
Pb17 Pb 0.6371(4) 0.54380(14) 0.72991(15) 0.0337(9) Uani 1 1 d . . . 
Pb10 Pb 0.8896(5) 0.17095(14) 0.82801(16) 0.0397(10) Uani 1 1 d . . . 
Pb9 Pb 0.3874(4) 0.17277(14) 0.81851(15) 0.0366(9) Uani 1 1 d . . . 
Pb2 Pb 0.8763(4) 0.16537(13) 0.15422(16) 0.0321(9) Uani 1 1 d . . . 
Pb4 Pb 0.8885(4) 0.26618(13) 0.32846(15) 0.0343(9) Uani 1 1 d . . . 
Pb7 Pb 0.3773(4) 0.26487(15) 0.65783(16) 0.0364(10) Uani 1 1 d . . . 
Pb8 Pb 0.8759(5) 0.27170(14) 0.65545(17) 0.0383(10) Uani 1 1 d . . . 
Pb12 Pb 0.8750(4) 0.26334(14) 0.98992(15) 0.0317(9) Uani 1 1 d . . . 
Pb11 Pb 0.3651(4) 0.26775(15) 0.99252(17) 0.0431(11) Uani 1 1 d . . . 
Pb5 Pb 0.3650(4) 0.16957(15) 0.49147(17) 0.0428(11) Uani 1 1 d . . . 
Sb7 Sb 0.8698(7) 0.5221(2) 0.5453(3) 0.0393(17) Uani 1 1 d . . . 
Pb19 Pb 0.8694(5) 0.51810(18) 0.87710(19) 0.0378(15) Uani 0.66(2) 1 d P . . 
Sb18 Sb 0.8694(5) 0.51810(18) 0.87710(19) 0.0378(15) Uani 0.34(2) 1 d P . . 
Sb9 Sb 0.1336(6) 0.5312(2) 0.7364(2) 0.0174(13) Uani 1 1 d . . . 
Sb3 Sb 0.8494(5) 0.51614(17) 0.21558(18) 0.0367(16) Uani 0.49(2) 1 d P . . 
Pb22 Pb 0.8494(5) 0.51614(17) 0.21558(18) 0.0367(16) Uani 0.51(2) 1 d P . . 
Sb5 Sb 0.1189(6) 0.5273(2) 0.4036(2) 0.0194(13) Uani 1 1 d . . . 
Pb3 Pb 0.3856(4) 0.26364(14) 0.31946(16) 0.0402(10) Uani 1 1 d . . . 
Sb8 Sb 0.1320(5) 0.41999(18) 0.62179(19) 0.0318(15) Uani 0.49(2) 1 d P . . 
Pb24 Pb 0.1320(5) 0.41999(18) 0.62179(19) 0.0318(15) Uani 0.51(2) 1 d P . . 
Pb21 Pb 0.6270(4) 0.53952(15) 0.06607(16) 0.0357(10) Uani 1 1 d . . . 
Sb4 Sb 0.1523(5) 0.42259(18) 0.28376(18) 0.0254(15) Uani 0.71(2) 1 d P . . 
Pb23 Pb 0.1523(5) 0.42259(18) 0.28376(18) 0.0254(15) Uani 0.29(2) 1 d P . . 
Sb1 Sb 0.8813(7) 0.4089(2) 0.0951(2) 0.0289(15) Uani 1 1 d . . . 
Sb2 Sb 0.3795(7) 0.5289(3) 0.2109(2) 0.026(2) Uani 0.55(4) 1 d P . . 
As14 As 0.3795(7) 0.5289(3) 0.2109(2) 0.026(2) Uani 0.45(4) 1 d P . . 
Sb10 Sb 0.8642(6) 0.4059(2) 0.7635(2) 0.0475(18) Uani 0.545(14) 1 d P . . 
Pb25 Pb 0.8642(6) 0.4059(2) 0.7635(2) 0.0475(18) Uani 0.455(14) 1 d P . . 
Pb16 Pb 0.8894(4) 0.39837(14) 0.43032(15) 0.0296(9) Uani 1 1 d . . . 
Sb13 Sb 0.5771(7) 0.4173(2) 0.9592(2) 0.0232(14) Uani 1 1 d . . . 
Sb12 Sb 0.3827(8) 0.6267(2) 0.9864(3) 0.0325(18) Uani 0.91(2) 1 d P . . 
As16 As 0.3827(8) 0.6267(2) 0.9864(3) 0.0325(18) Uani 0.09(2) 1 d P . . 
As5 As 0.6205(8) 0.4079(3) 0.2895(3) 0.021(2) Uani 0.73(4) 1 d P . . 
Sb16 Sb 0.6205(8) 0.4079(3) 0.2895(3) 0.021(2) Uani 0.27(4) 1 d P . . 
As6 As 0.3775(9) 0.6317(3) 0.6474(3) 0.0193(19) Uani 1 1 d . . . 
As13 As 0.1305(7) 0.4154(2) 0.9540(3) 0.0111(15) Uani 0.76(2) 1 d P . . 
Sb19 Sb 0.1305(7) 0.4154(2) 0.9540(3) 0.0111(15) Uani 0.24(2) 1 d P . . 
As2 As 0.8708(10) 0.6335(3) 0.3144(3) 0.021(2) Uani 1 1 d . . . 
As3 As 0.1277(9) 0.3051(3) 0.1849(3) 0.019(2) Uani 1 1 d . . . 
Sb6 Sb 0.4196(6) 0.5213(2) 0.5414(2) 0.0209(13) Uani 1 1 d . . . 
As12 As 0.6213(9) 0.3061(3) 0.8523(3) 0.0186(19) Uani 1 1 d . . . 
As9 As 0.6231(8) 0.4092(3) 0.6194(3) 0.0097(16) Uani 1 1 d . . . 
Sb11 Sb 0.3754(8) 0.5272(3) 0.8794(3) 0.040(2) Uani 0.70(2) 1 d P . . 
As15 As 0.3754(8) 0.5272(3) 0.8794(3) 0.040(2) Uani 0.30(2) 1 d P . . 
As11 As 0.0651(8) 0.3171(3) 0.8463(3) 0.0187(19) Uani 1 1 d . . . 
As1 As 0.3215(9) 0.6242(3) 0.3216(3) 0.021(2) Uani 0.75(4) 1 d P . . 
Sb14 Sb 0.3215(9) 0.6242(3) 0.3216(3) 0.021(2) Uani 0.25(4) 1 d P . . 
As4 As 0.6787(9) 0.3144(3) 0.1776(3) 0.026(3) Uani 0.76(4) 1 d P . . 
Sb15 Sb 0.6787(9) 0.3144(3) 0.1776(3) 0.026(3) Uani 0.24(4) 1 d P . . 
As7 As 0.9344(9) 0.6208(3) 0.6546(3) 0.0172(19) Uani 1 1 d . . . 
As8 As 0.1233(9) 0.3104(3) 0.5082(4) 0.021(2) Uani 1 1 d . . . 
As10 As 0.8729(10) 0.6278(3) 0.9895(3) 0.022(2) Uani 1 1 d . . . 
Ag Ag 0.6161(8) 0.3113(2) 0.5133(3) 0.0270(17) Uani 1 1 d . . . 
S1 S 0.116(2) 0.3593(7) 0.0319(7) 0.018(4) Uiso 1 1 d . . . 
S2 S 0.6092(19) 0.3469(6) 0.0279(7) 0.014(4) Uiso 1 1 d . . . 
S3 S 0.101(2) 0.4582(7) 0.1455(7) 0.022(5) Uiso 1 1 d . . . 
S4 S 0.653(2) 0.4653(7) 0.1518(8) 0.026(5) Uiso 1 1 d . . . 
S5 S 0.166(2) 0.5763(7) 0.2573(8) 0.029(5) Uiso 1 1 d . . . 
S6 S 0.5974(19) 0.5694(6) 0.2564(7) 0.021(4) Uiso 1 1 d . . . 
S7 S 0.0901(18) 0.6590(6) 0.3675(7) 0.015(4) Uiso 1 1 d . . . 
S8 S 0.669(2) 0.6560(7) 0.3720(8) 0.018(4) Uiso 1 1 d . . . 
S9 S 0.3848(19) 0.7342(6) 0.4310(7) 0.017(4) Uiso 1 1 d . . . 
S10 S 0.8779(19) 0.7495(6) 0.4239(6) 0.019(4) Uiso 1 1 d . . . 
S11 S 0.1199(19) 0.1929(6) 0.0705(7) 0.021(4) Uiso 1 1 d . . . 
S12 S 0.629(2) 0.2040(7) 0.0709(8) 0.030(5) Uiso 1 1 d . . . 
S13 S 0.324(2) 0.2850(7) 0.1288(8) 0.017(4) Uiso 1 1 d . . . 
S14 S 0.913(2) 0.2841(6) 0.1293(7) 0.024(5) Uiso 1 1 d . . . 
S15 S 0.4155(19) 0.3660(7) 0.2445(7) 0.022(4) Uiso 1 1 d . . . 
S16 S 0.8312(19) 0.3663(6) 0.2391(7) 0.016(4) Uiso 1 1 d . . . 
S17 S 0.359(2) 0.4717(7) 0.3495(7) 0.019(4) Uiso 1 1 d . . . 
S18 S 0.905(2) 0.4765(7) 0.3524(8) 0.023(5) Uiso 1 1 d . . . 
S19 S 0.382(2) 0.5880(7) 0.4717(8) 0.031(5) Uiso 1 1 d . . . 
S20 S 0.875(2) 0.5801(7) 0.4660(8) 0.023(5) Uiso 1 1 d . . . 
S21 S 0.373(2) 0.7029(7) 0.5898(8) 0.026(5) Uiso 1 1 d . . . 
S22 S 0.888(2) 0.6935(7) 0.6029(8) 0.025(5) Uiso 1 1 d . . . 
S23 S 0.135(2) 0.2382(6) 0.2429(8) 0.020(5) Uiso 1 1 d . . . 
S24 S 0.632(2) 0.2447(7) 0.2334(8) 0.025(5) Uiso 1 1 d . . . 
S25 S 0.118(2) 0.3533(6) 0.3592(8) 0.015(4) Uiso 1 1 d . . . 
S26 S 0.6275(18) 0.3505(6) 0.3662(6) 0.020(4) Uiso 1 1 d . . . 
S27 S 0.1473(19) 0.4647(6) 0.4823(7) 0.025(4) Uiso 1 1 d . . . 
S28 S 0.6007(19) 0.4658(6) 0.4835(7) 0.018(4) Uiso 1 1 d . . . 
S29 S 0.085(2) 0.5743(7) 0.5920(8) 0.024(5) Uiso 1 1 d . . . 
S30 S 0.653(2) 0.5687(7) 0.5913(7) 0.023(5) Uiso 1 1 d . . . 
S31 S 0.1606(19) 0.6552(6) 0.7022(7) 0.010(4) Uiso 1 1 d . . . 
S32 S 0.577(2) 0.6576(7) 0.7037(8) 0.020(4) Uiso 1 1 d . . . 
S33 S 0.3375(19) 0.2843(6) 0.4583(7) 0.034(5) Uiso 1 1 d . . . 
S34 S 0.907(2) 0.2822(7) 0.4593(8) 0.021(5) Uiso 1 1 d . . . 
S35 S 0.419(2) 0.3606(6) 0.5784(7) 0.020(4) Uiso 1 1 d . . . 
S36 S 0.825(2) 0.3635(7) 0.5750(8) 0.022(5) Uiso 1 1 d . . . 
S37 S 0.352(3) 0.4738(8) 0.6872(9) 0.026(5) Uiso 1 1 d . . . 
S38 S 0.894(2) 0.4697(7) 0.6822(8) 0.026(5) Uiso 1 1 d . . . 
S39 S 0.3667(15) 0.5782(5) 0.7992(5) 0.016(4) Uiso 1 1 d . . . 
S40 S 0.866(2) 0.5922(7) 0.8028(8) 0.020(5) Uiso 1 1 d . . . 
S41 S 0.129(2) 0.3494(7) 0.6969(8) 0.023(5) Uiso 1 1 d . . . 
S42 S 0.6121(15) 0.3558(5) 0.6984(6) 0.018(4) Uiso 1 1 d . . . 
S43 S 0.100(2) 0.4659(7) 0.8173(8) 0.020(5) Uiso 1 1 d . . . 
S44 S 0.654(2) 0.4643(8) 0.8143(9) 0.022(5) Uiso 1 1 d . . . 
S45 S 0.168(2) 0.5753(7) 0.9242(8) 0.022(5) Uiso 1 1 d . . . 
S46 S 0.585(2) 0.5749(7) 0.9254(7) 0.025(5) Uiso 1 1 d . . . 
S47 S 0.129(2) 0.2042(6) 0.7423(8) 0.020(5) Uiso 1 1 d . . . 
S48 S 0.642(2) 0.1951(6) 0.7325(7) 0.015(4) Uiso 1 1 d . . . 
S49 S 0.428(2) 0.2846(6) 0.7951(7) 0.016(4) Uiso 1 1 d . . . 
S50 S 0.842(2) 0.2865(8) 0.7970(9) 0.033(5) Uiso 1 1 d . . . 
S51 S 0.341(2) 0.3673(7) 0.9122(7) 0.020(4) Uiso 1 1 d . . . 
S52 S 0.917(2) 0.3680(7) 0.9070(8) 0.021(5) Uiso 1 1 d . . . 
S53 S 0.390(2) 0.4696(6) 0.0145(7) 0.021(5) Uiso 1 1 d . . . 
S54 S 0.8610(17) 0.4680(5) 0.0153(6) 0.016(4) Uiso 1 1 d . . . 
S55 S 0.123(2) 0.0883(7) 0.8588(9) 0.026(5) Uiso 1 1 d . . . 
S56 S 0.6359(19) 0.0826(6) 0.8681(7) 0.023(4) Uiso 1 1 d . . . 
S57 S 0.110(2) 0.2486(7) 0.8984(8) 0.020(5) Uiso 1 1 d . . . 
S58 S 0.622(2) 0.2399(6) 0.9107(8) 0.016(4) Uiso 1 1 d . . . 
S59 S 0.3305(15) 0.1617(5) 0.9591(6) 0.010(3) Uiso 1 1 d . . . 
S60 S 0.909(2) 0.1550(7) 0.9617(7) 0.017(4) Uiso 1 1 d . . . 
 
 
_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 
Pb13 S53 2.915(17) . ? 
Pb13 S13 2.916(18) . ? 
Pb13 S2 2.948(16) . ? 
Pb13 S1 2.948(18) . ? 
Pb13 S3 3.016(18) . ? 
Pb15 S17 2.785(18) . ? 
Pb15 S27 2.815(16) . ? 
Pb15 S28 2.852(17) . ? 
Pb15 S26 2.950(16) . ? 
Pb15 S25 3.021(18) . ? 
Pb15 S33 3.011(16) . ? 
Pb6 S21 2.90(2) 2_646 ? 
Pb6 S34 2.91(2) . ? 
Pb6 S22 3.02(2) 2_746 ? 
Pb18 S41 2.86(2) . ? 
Pb18 S42 2.878(14) . ? 
Pb18 S37 2.88(2) . ? 
Pb18 S49 2.921(17) . ? 
Pb18 S43 3.112(19) . ? 
Pb14 S20 2.871(19) . ? 
Pb14 S28 2.923(17) . ? 
Pb14 S19 2.96(2) . ? 
Pb14 S8 2.983(18) . ? 
Pb14 S18 3.116(18) . ? 
Pb14 S17 3.101(18) . ? 
Pb20 S3 2.771(18) . ? 
Pb20 S56 2.834(16) 2_656 ? 
Pb20 S55 2.89(2) 2_556 ? 
Pb20 S54 3.075(15) 1_455 ? 
Pb20 S60 3.093(19) 2_656 ? 
Pb1 S13 3.021(18) . ? 
Pb1 S11 3.042(16) . ? 
Pb1 S12 3.07(2) . ? 
Pb1 S40 3.073(19) 2_646 ? 
Pb17 S40 2.879(19) . ? 
Pb17 S44 2.88(2) . ? 
Pb17 S39 2.949(13) . ? 
Pb17 S32 3.055(18) . ? 
Pb17 S38 3.10(2) . ? 
Pb10 S47 3.00(2) 1_655 ? 
Pb10 S55 3.00(2) 1_655 ? 
Pb10 S50 3.11(2) . ? 
Pb9 S47 2.944(19) . ? 
Pb9 S49 2.971(17) . ? 
Pb9 S48 3.022(18) . ? 
Pb2 S11 2.946(17) 1_655 ? 
Pb2 S45 3.01(2) 2_646 ? 
Pb2 S40 3.057(19) 2_746 ? 
Pb2 S12 3.042(18) . ? 
Pb2 S14 3.147(17) . ? 
Pb4 S31 2.994(16) 2_646 ? 
Pb4 S23 3.00(2) 1_655 ? 
Pb4 S25 3.060(18) 1_655 ? 
Pb4 S22 3.12(2) 2_746 ? 
Pb7 S10 2.925(16) 2_646 ? 
Pb7 S8 2.933(18) 2_646 ? 
Pb7 S9 3.019(17) 2_646 ? 
Pb8 S10 2.863(17) 2_746 ? 
Pb8 S7 2.983(15) 2_646 ? 
Pb8 S41 3.09(2) 1_655 ? 
Pb8 S36 3.08(2) . ? 
Pb12 S60 2.901(19) . ? 
Pb12 S58 2.905(18) . ? 
Pb12 S57 2.970(19) 1_655 ? 
Pb11 S59 2.875(13) . ? 
Pb11 S58 3.001(18) . ? 
Pb11 S2 3.021(16) 1_556 ? 
Pb11 S57 3.140(19) . ? 
Pb5 S33 3.083(16) . ? 
Pb5 S21 3.06(2) 2_646 ? 
Pb5 S19 3.122(19) 2_646 ? 
Sb7 S20 2.41(2) . ? 
Sb7 S30 2.445(19) . ? 
Sb7 S29 2.521(19) 1_655 ? 
Pb19 S40 2.609(18) . ? 
Pb19 S44 2.74(2) . ? 
Pb19 S43 2.760(19) 1_655 ? 
Pb19 S46 3.035(19) . ? 
Pb19 S45 3.12(2) 1_655 ? 
Sb9 S43 2.580(19) . ? 
Sb9 S37 2.64(2) . ? 
Sb9 S39 2.751(14) . ? 
Sb9 S38 2.88(2) 1_455 ? 
Sb3 S55 2.59(2) 2_656 ? 
Sb3 S4 2.601(19) . ? 
Sb3 S6 2.710(17) . ? 
Sb5 S27 2.489(17) . ? 
Sb5 S18 2.540(18) 1_455 ? 
Sb5 S17 2.794(18) . ? 
Sb5 S20 2.88(2) 1_455 ? 
Pb3 S32 2.819(18) 2_646 ? 
Pb3 S23 2.865(19) . ? 
Pb3 S24 2.95(2) . ? 
Sb8 S41 2.557(19) . ? 
Sb8 S37 2.79(2) . ? 
Sb8 S38 2.78(2) 1_455 ? 
Pb21 S4 2.813(19) . ? 
Pb21 S56 2.931(16) 2_656 ? 
Pb21 S53 2.959(17) . ? 
Pb21 S54 2.962(14) . ? 
Pb21 S55 3.04(2) 2_656 ? 
Sb4 S25 2.556(18) . ? 
Sb4 S17 2.660(18) . ? 
Sb4 S15 2.815(17) . ? 
Sb1 S54 2.446(16) . ? 
Sb1 S3 2.544(18) 1_655 ? 
Sb1 S4 2.767(19) . ? 
Sb1 S1 2.797(19) 1_655 ? 
Sb2 S56 2.345(17) 2_656 ? 
Sb2 S6 2.374(17) . ? 
Sb2 S5 2.44(2) . ? 
Sb10 S38 2.56(2) . ? 
Sb10 S44 2.62(2) . ? 
Sb10 S43 2.827(19) 1_655 ? 
Sb10 S42 2.932(14) . ? 
Pb16 S18 2.749(18) . ? 
Pb16 S25 2.816(18) 1_655 ? 
Pb16 S26 2.953(15) . ? 
Pb16 S27 3.032(16) 1_655 ? 
Pb16 S34 3.091(19) . ? 
Sb13 S2 2.465(16) 1_556 ? 
Sb13 S53 2.458(18) 1_556 ? 
Sb13 S51 2.621(18) . ? 
Sb12 S12 2.43(2) 2_656 ? 
Sb12 S46 2.610(19) . ? 
Sb12 S45 2.69(2) . ? 
Sb12 S60 2.85(2) 2_657 ? 
Sb12 S59 2.886(14) 2_657 ? 
As5 S15 2.301(18) . ? 
As5 S26 2.356(17) . ? 
As5 S16 2.396(18) . ? 
As6 S32 2.249(19) . ? 
As6 S21 2.30(2) . ? 
As6 S31 2.325(19) . ? 
As13 S1 2.361(19) 1_556 ? 
As13 S51 2.385(19) . ? 
As13 S52 2.447(19) 1_455 ? 
As2 S8 2.26(2) . ? 
As2 S47 2.27(2) 2_656 ? 
As2 S7 2.332(17) 1_655 ? 
As3 S13 2.19(2) . ? 
As3 S23 2.217(19) . ? 
As3 S14 2.304(19) 1_455 ? 
Sb6 S19 2.416(19) . ? 
Sb6 S28 2.508(17) . ? 
Sb6 S30 2.605(19) . ? 
As12 S49 2.194(18) . ? 
As12 S58 2.208(19) . ? 
As12 S50 2.34(2) . ? 
As9 S42 2.337(15) . ? 
As9 S36 2.32(2) . ? 
As9 S35 2.344(18) . ? 
Sb11 S39 2.324(15) . ? 
Sb11 S45 2.39(2) . ? 
Sb11 S46 2.417(19) . ? 
As11 S57 2.20(2) . ? 
As11 S52 2.32(2) 1_455 ? 
As11 S50 2.35(2) 1_455 ? 
As1 S48 2.264(18) 2_656 ? 
As1 S7 2.408(17) . ? 
As1 S5 2.36(2) . ? 
As4 S24 2.28(2) . ? 
As4 S16 2.365(18) . ? 
As4 S14 2.413(19) . ? 
As7 S29 2.30(2) 1_655 ? 
As7 S22 2.29(2) . ? 
As7 S31 2.388(18) 1_655 ? 
As8 S33 2.263(19) . ? 
As8 S10 2.258(17) 2_646 ? 
As8 S34 2.29(2) 1_455 ? 
As10 S11 2.211(17) 2_656 ? 
As10 S60 2.280(19) 2_757 ? 
As10 S59 2.281(16) 2_657 ? 
Ag S9 2.396(18) 2_646 ? 
Ag S35 2.607(18) . ? 
Ag S36 2.66(2) . ? 
Ag S33 2.774(17) . ? 
Ag S34 2.86(2) . ? 
S1 Sb19 2.361(19) 1_554 ? 
S1 As13 2.361(19) 1_554 ? 
S1 Sb1 2.797(19) 1_455 ? 
S2 Sb13 2.465(16) 1_554 ? 
S2 Pb11 3.021(16) 1_554 ? 
S3 Sb1 2.544(18) 1_455 ? 
S3 Pb22 3.084(18) 1_455 ? 
S7 As2 2.332(17) 1_455 ? 
S7 Pb8 2.983(15) 2_656 ? 
S8 Pb7 2.933(18) 2_656 ? 
S9 Ag 2.396(18) 2_656 ? 
S9 Pb7 3.019(17) 2_656 ? 
S10 As8 2.258(17) 2_656 ? 
S10 Pb8 2.863(17) 2_756 ? 
S10 Pb7 2.925(16) 2_656 ? 
S11 As10 2.211(17) 2_646 ? 
S11 Pb2 2.946(17) 1_455 ? 
S12 As16 2.43(2) 2_646 ? 
S12 Sb12 2.43(2) 2_646 ? 
S14 As3 2.304(18) 1_655 ? 
S18 Sb5 2.540(18) 1_655 ? 
S18 Pb23 2.992(18) 1_655 ? 
S19 Pb5 3.122(19) 2_656 ? 
S20 Sb5 2.88(2) 1_655 ? 
S21 Pb6 2.90(2) 2_656 ? 
S21 Pb5 3.06(2) 2_656 ? 
S22 Pb6 3.02(2) 2_756 ? 
S22 Pb4 3.12(2) 2_756 ? 
S23 Pb4 3.00(2) 1_455 ? 
S25 Pb16 2.816(18) 1_455 ? 
S25 Pb4 3.060(17) 1_455 ? 
S27 Pb16 3.032(16) 1_455 ? 
S29 As7 2.30(2) 1_455 ? 
S29 Sb7 2.521(19) 1_455 ? 
S31 As7 2.388(18) 1_455 ? 
S31 Pb4 2.994(16) 2_656 ? 
S32 Pb3 2.819(18) 2_656 ? 
S34 As8 2.29(2) 1_655 ? 
S38 Pb24 2.78(2) 1_655 ? 
S38 Sb8 2.78(2) 1_655 ? 
S38 Sb9 2.88(2) 1_655 ? 
S40 Pb2 3.057(19) 2_756 ? 
S40 Pb1 3.073(19) 2_656 ? 
S41 Pb8 3.089(19) 1_455 ? 
S41 Pb25 3.10(2) 1_455 ? 
S43 Sb18 2.760(19) 1_455 ? 
S43 Pb19 2.760(19) 1_455 ? 
S43 Pb25 2.827(19) 1_455 ? 
S43 Sb10 2.827(19) 1_455 ? 
S45 Pb2 3.01(2) 2_656 ? 
S45 Pb19 3.12(2) 1_455 ? 
S47 As2 2.275(19) 2_646 ? 
S47 Pb10 3.00(2) 1_455 ? 
S48 Sb14 2.264(18) 2_646 ? 
S48 As1 2.264(18) 2_646 ? 
S50 As11 2.35(2) 1_655 ? 
S52 As11 2.32(2) 1_655 ? 
S52 As13 2.447(19) 1_655 ? 
S52 Sb19 2.447(19) 1_655 ? 
S53 Sb13 2.458(18) 1_554 ? 
S54 Pb20 3.075(15) 1_655 ? 
S55 Pb22 2.59(2) 2_646 ? 
S55 Sb3 2.59(2) 2_646 ? 
S55 Pb20 2.89(2) 2_546 ? 
S55 Sb20 2.89(2) 2_546 ? 
S55 Pb10 3.00(2) 1_455 ? 
S55 Pb21 3.04(2) 2_646 ? 
S56 As14 2.345(17) 2_646 ? 
S56 Sb2 2.345(17) 2_646 ? 
S56 Pb20 2.834(16) 2_646 ? 
S56 Sb20 2.834(16) 2_646 ? 
S56 Pb21 2.931(16) 2_646 ? 
S57 Pb12 2.970(19) 1_455 ? 
S59 As10 2.281(16) 2_647 ? 
S59 Sb12 2.886(14) 2_647 ? 
S60 As10 2.280(19) 2_747 ? 
S60 Sb12 2.85(2) 2_647 ? 
S60 Pb20 3.093(19) 2_646 ? 
 
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 
S53 Pb13 S13 142.9(5) . . ? 
S53 Pb13 S2 77.9(5) . . ? 
S13 Pb13 S2 79.6(5) . . ? 
S53 Pb13 S1 78.1(5) . . ? 
S13 Pb13 S1 72.6(5) . . ? 
S2 Pb13 S1 89.8(5) . . ? 
S53 Pb13 S3 84.0(5) . . ? 
S13 Pb13 S3 110.6(5) . . ? 
S2 Pb13 S3 159.7(5) . . ? 
S1 Pb13 S3 77.4(5) . . ? 
S17 Pb15 S27 80.9(5) . . ? 
S17 Pb15 S28 84.5(5) . . ? 
S27 Pb15 S28 84.6(5) . . ? 
S17 Pb15 S26 85.4(5) . . ? 
S27 Pb15 S26 165.6(5) . . ? 
S28 Pb15 S26 89.8(5) . . ? 
S17 Pb15 S25 78.5(5) . . ? 
S27 Pb15 S25 89.7(5) . . ? 
S28 Pb15 S25 162.8(5) . . ? 
S26 Pb15 S25 91.8(5) . . ? 
S17 Pb15 S33 143.6(5) . . ? 
S27 Pb15 S33 117.2(5) . . ? 
S28 Pb15 S33 126.3(5) . . ? 
S26 Pb15 S33 76.8(5) . . ? 
S25 Pb15 S33 70.7(5) . . ? 
S21 Pb6 S34 70.0(5) 2_646 . ? 
S21 Pb6 S22 87.5(5) 2_646 2_746 ? 
S34 Pb6 S22 66.1(5) . 2_746 ? 
S41 Pb18 S42 90.4(5) . . ? 
S41 Pb18 S37 81.2(6) . . ? 
S42 Pb18 S37 81.8(5) . . ? 
S41 Pb18 S49 82.8(5) . . ? 
S42 Pb18 S49 70.1(5) . . ? 
S37 Pb18 S49 147.4(6) . . ? 
S41 Pb18 S43 88.5(5) . . ? 
S42 Pb18 S43 159.3(5) . . ? 
S37 Pb18 S43 77.6(6) . . ? 
S49 Pb18 S43 130.1(5) . . ? 
S20 Pb14 S28 81.4(5) . . ? 
S20 Pb14 S19 90.9(5) . . ? 
S28 Pb14 S19 77.3(5) . . ? 
S20 Pb14 S8 72.2(5) . . ? 
S28 Pb14 S8 144.5(5) . . ? 
S19 Pb14 S8 79.9(5) . . ? 
S20 Pb14 S18 79.1(5) . . ? 
S28 Pb14 S18 84.1(5) . . ? 
S19 Pb14 S18 160.1(5) . . ? 
S8 Pb14 S18 112.7(5) . . ? 
S20 Pb14 S17 159.1(5) . . ? 
S28 Pb14 S17 77.9(5) . . ? 
S19 Pb14 S17 87.7(5) . . ? 
S8 Pb14 S17 127.9(5) . . ? 
S18 Pb14 S17 95.5(5) . . ? 
S3 Pb20 S56 88.8(5) . 2_656 ? 
S3 Pb20 S55 86.0(5) . 2_556 ? 
S56 Pb20 S55 91.7(5) 2_656 2_556 ? 
S3 Pb20 S54 78.5(5) . 1_455 ? 
S56 Pb20 S54 166.2(4) 2_656 1_455 ? 
S55 Pb20 S54 92.9(5) 2_556 1_455 ? 
S3 Pb20 S60 152.9(5) . 2_656 ? 
S56 Pb20 S60 77.4(5) 2_656 2_656 ? 
S55 Pb20 S60 71.4(5) 2_556 2_656 ? 
S54 Pb20 S60 116.4(4) 1_455 2_656 ? 
S13 Pb1 S11 64.8(4) . . ? 
S13 Pb1 S12 72.4(5) . . ? 
S11 Pb1 S12 89.4(5) . . ? 
S13 Pb1 S40 128.6(5) . 2_646 ? 
S11 Pb1 S40 81.5(5) . 2_646 ? 
S12 Pb1 S40 147.9(5) . 2_646 ? 
S40 Pb17 S44 81.9(6) . . ? 
S40 Pb17 S39 92.7(5) . . ? 
S44 Pb17 S39 82.1(5) . . ? 
S40 Pb17 S32 79.3(5) . . ? 
S44 Pb17 S32 147.2(6) . . ? 
S39 Pb17 S32 72.2(4) . . ? 
S40 Pb17 S38 91.4(5) . . ? 
S44 Pb17 S38 77.3(6) . . ? 
S39 Pb17 S38 158.2(5) . . ? 
S32 Pb17 S38 129.6(5) . . ? 
S47 Pb10 S55 86.0(5) 1_655 1_655 ? 
S47 Pb10 S50 69.4(5) 1_655 . ? 
S55 Pb10 S50 146.1(6) 1_655 . ? 
S47 Pb9 S49 72.5(5) . . ? 
S47 Pb9 S48 93.0(5) . . ? 
S49 Pb9 S48 66.7(5) . . ? 
S11 Pb2 S45 81.6(5) 1_655 2_646 ? 
S11 Pb2 S40 83.3(5) 1_655 2_746 ? 
S45 Pb2 S40 79.3(5) 2_646 2_746 ? 
S11 Pb2 S12 87.4(5) 1_655 . ? 
S45 Pb2 S12 76.5(5) 2_646 . ? 
S40 Pb2 S12 155.1(5) 2_746 . ? 
S11 Pb2 S14 64.4(4) 1_655 . ? 
S45 Pb2 S14 130.7(5) 2_646 . ? 
S40 Pb2 S14 126.9(5) 2_746 . ? 
S12 Pb2 S14 67.8(5) . . ? 
S31 Pb4 S23 72.4(5) 2_646 1_655 ? 
S31 Pb4 S25 148.6(5) 2_646 1_655 ? 
S23 Pb4 S25 84.5(5) 1_655 1_655 ? 
S31 Pb4 S22 68.4(5) 2_646 2_746 ? 
S23 Pb4 S22 78.1(5) 1_655 2_746 ? 
S25 Pb4 S22 86.5(5) 1_655 2_746 ? 
S10 Pb7 S8 67.1(5) 2_646 2_646 ? 
S10 Pb7 S9 89.1(4) 2_646 2_646 ? 
S8 Pb7 S9 70.4(5) 2_646 2_646 ? 
S10 Pb8 S7 67.2(4) 2_746 2_646 ? 
S10 Pb8 S41 81.0(5) 2_746 1_655 ? 
S7 Pb8 S41 129.1(5) 2_646 1_655 ? 
S10 Pb8 S36 81.1(5) 2_746 . ? 
S7 Pb8 S36 130.8(5) 2_646 . ? 
S41 Pb8 S36 78.0(5) 1_655 . ? 
S60 Pb12 S58 73.7(5) . . ? 
S60 Pb12 S57 68.8(5) . 1_655 ? 
S58 Pb12 S57 89.1(5) . 1_655 ? 
S59 Pb11 S58 70.3(4) . . ? 
S59 Pb11 S2 142.6(4) . 1_556 ? 
S58 Pb11 S2 81.6(5) . 1_556 ? 
S59 Pb11 S57 65.3(4) . . ? 
S58 Pb11 S57 89.5(5) . . ? 
S2 Pb11 S57 140.4(5) 1_556 . ? 
S33 Pb5 S21 67.7(5) . 2_646 ? 
S33 Pb5 S19 140.8(5) . 2_646 ? 
S21 Pb5 S19 83.0(5) 2_646 2_646 ? 
S20 Sb7 S30 93.2(6) . . ? 
S20 Sb7 S29 89.8(7) . 1_655 ? 
S30 Sb7 S29 94.2(6) . 1_655 ? 
S40 Pb19 S44 89.8(6) . . ? 
S40 Pb19 S43 91.1(6) . 1_655 ? 
S44 Pb19 S43 86.3(6) . 1_655 ? 
S40 Pb19 S46 83.8(5) . . ? 
S44 Pb19 S46 86.1(6) . . ? 
S43 Pb19 S46 170.8(5) 1_655 . ? 
S40 Pb19 S45 84.5(6) . 1_655 ? 
S44 Pb19 S45 166.4(6) . 1_655 ? 
S43 Pb19 S45 81.5(5) 1_655 1_655 ? 
S46 Pb19 S45 105.5(5) . 1_655 ? 
S43 Sb9 S37 92.2(6) . . ? 
S43 Sb9 S39 87.8(5) . . ? 
S37 Sb9 S39 89.7(6) . . ? 
S43 Sb9 S38 84.0(5) . 1_455 ? 
S37 Sb9 S38 88.6(6) . 1_455 ? 
S39 Sb9 S38 171.6(5) . 1_455 ? 
S55 Sb3 S4 91.3(6) 2_656 . ? 
S55 Sb3 S6 87.0(6) 2_656 . ? 
S4 Sb3 S6 88.3(5) . . ? 
S27 Sb5 S18 95.3(6) . 1_455 ? 
S27 Sb5 S17 86.7(5) . . ? 
S18 Sb5 S17 91.3(6) 1_455 . ? 
S27 Sb5 S20 89.4(5) . 1_455 ? 
S18 Sb5 S20 89.4(6) 1_455 1_455 ? 
S17 Sb5 S20 176.1(6) . 1_455 ? 
S32 Pb3 S23 74.6(5) 2_646 . ? 
S32 Pb3 S24 67.9(5) 2_646 . ? 
S23 Pb3 S24 92.1(5) . . ? 
S41 Sb8 S37 88.5(6) . . ? 
S41 Sb8 S38 87.8(6) . 1_455 ? 
S37 Sb8 S38 87.6(6) . 1_455 ? 
S4 Pb21 S56 86.0(5) . 2_656 ? 
S4 Pb21 S53 86.3(5) . . ? 
S56 Pb21 S53 87.0(5) 2_656 . ? 
S4 Pb21 S54 79.5(5) . . ? 
S56 Pb21 S54 163.3(4) 2_656 . ? 
S53 Pb21 S54 84.0(4) . . ? 
S4 Pb21 S55 78.6(5) . 2_656 ? 
S56 Pb21 S55 92.8(5) 2_656 2_656 ? 
S53 Pb21 S55 164.9(5) . 2_656 ? 
S54 Pb21 S55 92.3(5) . 2_656 ? 
S25 Sb4 S17 89.7(6) . . ? 
S25 Sb4 S15 87.5(5) . . ? 
S17 Sb4 S15 86.1(5) . . ? 
S54 Sb1 S3 95.9(6) . 1_655 ? 
S54 Sb1 S4 90.0(5) . . ? 
S3 Sb1 S4 90.5(6) 1_655 . ? 
S54 Sb1 S1 85.4(5) . 1_655 ? 
S3 Sb1 S1 88.4(6) 1_655 1_655 ? 
S4 Sb1 S1 175.1(6) . 1_655 ? 
S56 Sb2 S6 98.4(6) 2_656 . ? 
S56 Sb2 S5 91.4(6) 2_656 . ? 
S6 Sb2 S5 98.0(6) . . ? 
S38 Sb10 S44 92.5(6) . . ? 
S38 Sb10 S43 85.4(6) . 1_655 ? 
S44 Sb10 S43 87.1(6) . 1_655 ? 
S38 Sb10 S42 87.5(5) . . ? 
S44 Sb10 S42 90.6(5) . . ? 
S43 Sb10 S42 172.4(5) 1_655 . ? 
S18 Pb16 S25 82.3(5) . 1_655 ? 
S18 Pb16 S26 89.8(5) . . ? 
S25 Pb16 S26 91.4(5) 1_655 . ? 
S18 Pb16 S27 79.8(5) . 1_655 ? 
S25 Pb16 S27 89.5(5) 1_655 1_655 ? 
S26 Pb16 S27 169.4(4) . 1_655 ? 
S18 Pb16 S34 149.9(5) . . ? 
S25 Pb16 S34 72.5(5) 1_655 . ? 
S26 Pb16 S34 75.0(5) . . ? 
S27 Pb16 S34 115.3(5) 1_655 . ? 
S2 Sb13 S53 97.0(6) 1_556 1_556 ? 
S2 Sb13 S51 90.1(5) 1_556 . ? 
S53 Sb13 S51 91.0(6) 1_556 . ? 
S12 Sb12 S46 98.0(6) 2_656 . ? 
S12 Sb12 S45 94.0(6) 2_656 . ? 
S46 Sb12 S45 82.9(6) . . ? 
S12 Sb12 S60 89.7(6) 2_656 2_657 ? 
S46 Sb12 S60 159.6(6) . 2_657 ? 
S45 Sb12 S60 77.7(6) . 2_657 ? 
S12 Sb12 S59 91.6(5) 2_656 2_657 ? 
S46 Sb12 S59 82.3(5) . 2_657 ? 
S45 Sb12 S59 164.8(6) . 2_657 ? 
S60 Sb12 S59 116.5(5) 2_657 2_657 ? 
S15 As5 S26 94.7(6) . . ? 
S15 As5 S16 96.3(6) . . ? 
S26 As5 S16 95.0(6) . . ? 
S32 As6 S21 97.5(7) . . ? 
S32 As6 S31 99.9(7) . . ? 
S21 As6 S31 96.4(7) . . ? 
S1 As13 S51 92.5(6) 1_556 . ? 
S1 As13 S52 90.8(6) 1_556 1_455 ? 
S51 As13 S52 95.2(6) . 1_455 ? 
S8 As2 S47 98.8(7) . 2_656 ? 
S8 As2 S7 101.2(7) . 1_655 ? 
S47 As2 S7 95.4(7) 2_656 1_655 ? 
S13 As3 S23 100.1(7) . . ? 
S13 As3 S14 100.7(7) . 1_455 ? 
S23 As3 S14 101.2(7) . 1_455 ? 
S19 Sb6 S28 96.4(6) . . ? 
S19 Sb6 S30 94.3(6) . . ? 
S28 Sb6 S30 93.6(6) . . ? 
S49 As12 S58 101.5(7) . . ? 
S49 As12 S50 100.6(7) . . ? 
S58 As12 S50 100.6(7) . . ? 
S42 As9 S36 95.3(6) . . ? 
S42 As9 S35 89.3(6) . . ? 
S36 As9 S35 94.2(7) . . ? 
S39 Sb11 S45 92.7(6) . . ? 
S39 Sb11 S46 96.0(6) . . ? 
S45 Sb11 S46 93.6(7) . . ? 
S57 As11 S52 101.6(7) . 1_455 ? 
S57 As11 S50 98.5(7) . 1_455 ? 
S52 As11 S50 94.3(7) 1_455 1_455 ? 
S48 As1 S7 93.6(6) 2_656 . ? 
S48 As1 S5 97.5(7) 2_656 . ? 
S7 As1 S5 92.5(6) . . ? 
S24 As4 S16 100.6(7) . . ? 
S24 As4 S14 99.4(7) . . ? 
S16 As4 S14 92.1(6) . . ? 
S29 As7 S22 100.1(7) 1_655 . ? 
S29 As7 S31 93.7(7) 1_655 1_655 ? 
S22 As7 S31 94.8(7) . 1_655 ? 
S33 As8 S10 99.8(7) . 2_646 ? 
S33 As8 S34 105.8(7) . 1_455 ? 
S10 As8 S34 97.9(7) 2_646 1_455 ? 
S11 As10 S60 94.1(7) 2_656 2_757 ? 
S11 As10 S59 94.3(6) 2_656 2_657 ? 
S60 As10 S59 102.1(6) 2_757 2_657 ? 
S9 Ag S35 94.4(6) 2_646 . ? 
S9 Ag S36 96.9(6) 2_646 . ? 
S35 Ag S36 80.9(6) . . ? 
S9 Ag S33 92.8(5) 2_646 . ? 
S35 Ag S33 82.3(5) . . ? 
S36 Ag S33 161.2(6) . . ? 
S9 Ag S34 91.8(6) 2_646 . ? 
S35 Ag S34 160.1(6) . . ? 
S36 Ag S34 79.5(6) . . ? 
S33 Ag S34 116.3(5) . . ? 
Sb19 S1 As13 0.0(3) 1_554 1_554 ? 
Sb19 S1 Sb1 100.1(6) 1_554 1_455 ? 
As13 S1 Sb1 100.1(6) 1_554 1_455 ? 
Sb19 S1 Pb13 103.8(6) 1_554 . ? 
As13 S1 Pb13 103.8(6) 1_554 . ? 
Sb1 S1 Pb13 93.9(5) 1_455 . ? 
Sb13 S2 Pb13 92.0(5) 1_554 . ? 
Sb13 S2 Pb11 104.0(5) 1_554 1_554 ? 
Pb13 S2 Pb11 90.4(4) . 1_554 ? 
Sb1 S3 Pb20 95.3(6) 1_455 . ? 
Sb1 S3 Pb13 97.7(5) 1_455 . ? 
Pb20 S3 Pb13 100.8(6) . . ? 
Sb1 S3 Pb22 90.1(5) 1_455 1_455 ? 
Pb20 S3 Pb22 90.2(5) . 1_455 ? 
Pb13 S3 Pb22 165.8(7) . 1_455 ? 
Sb3 S4 Sb1 96.4(6) . . ? 
Sb3 S4 Pb21 97.3(6) . . ? 
Sb1 S4 Pb21 93.4(6) . . ? 
As1 S5 Sb2 98.7(7) . . ? 
Sb2 S6 Sb3 102.4(6) . . ? 
As2 S7 As1 106.7(6) 1_455 . ? 
As2 S7 Pb8 104.7(6) 1_455 2_656 ? 
As1 S7 Pb8 101.9(6) . 2_656 ? 
As2 S8 Pb7 101.5(7) . 2_656 ? 
As2 S8 Pb14 87.6(6) . . ? 
Pb7 S8 Pb14 164.7(7) 2_656 . ? 
Ag S9 Pb7 99.9(6) 2_656 2_656 ? 
As8 S10 Pb8 109.6(6) 2_656 2_756 ? 
As8 S10 Pb7 112.2(6) 2_656 2_656 ? 
Pb8 S10 Pb7 93.7(5) 2_756 2_656 ? 
As10 S11 Pb2 105.8(6) 2_646 1_455 ? 
As10 S11 Pb1 106.8(6) 2_646 . ? 
Pb2 S11 Pb1 89.6(4) 1_455 . ? 
As16 S12 Sb12 0.0(4) 2_646 2_646 ? 
As16 S12 Pb1 97.5(7) 2_646 . ? 
Sb12 S12 Pb1 97.5(7) 2_646 . ? 
As16 S12 Pb2 97.1(6) 2_646 . ? 
Sb12 S12 Pb2 97.1(6) 2_646 . ? 
Pb1 S12 Pb2 86.9(5) . . ? 
As3 S13 Pb13 90.3(6) . . ? 
As3 S13 Pb1 101.7(7) . . ? 
Pb13 S13 Pb1 162.4(7) . . ? 
As3 S14 As4 106.9(7) 1_655 . ? 
As3 S14 Pb2 101.5(6) 1_655 . ? 
As4 S14 Pb2 98.5(6) . . ? 
As5 S15 Sb4 100.9(6) . . ? 
As4 S16 As5 99.4(6) . . ? 
Sb4 S17 Pb15 97.3(6) . . ? 
Sb4 S17 Sb5 92.7(5) . . ? 
Pb15 S17 Sb5 93.0(6) . . ? 
Sb4 S17 Pb14 164.1(7) . . ? 
Pb15 S17 Pb14 97.3(5) . . ? 
Sb5 S17 Pb14 92.6(5) . . ? 
Sb5 S18 Pb16 95.3(6) 1_655 . ? 
Sb5 S18 Pb23 90.7(6) 1_655 1_655 ? 
Pb16 S18 Pb23 93.3(5) . 1_655 ? 
Sb5 S18 Pb14 95.4(5) 1_655 . ? 
Pb16 S18 Pb14 98.9(6) . . ? 
Pb23 S18 Pb14 165.7(7) 1_655 . ? 
Sb6 S19 Pb14 93.3(6) . . ? 
Sb6 S19 Pb5 101.7(6) . 2_656 ? 
Pb14 S19 Pb5 88.3(5) . 2_656 ? 
Sb7 S20 Pb14 104.0(7) . . ? 
Sb7 S20 Sb5 97.0(6) . 1_655 ? 
Pb14 S20 Sb5 93.9(5) . 1_655 ? 
As6 S21 Pb6 101.2(7) . 2_656 ? 
As6 S21 Pb5 98.0(6) . 2_656 ? 
Pb6 S21 Pb5 91.7(6) 2_656 2_656 ? 
As7 S22 Pb6 98.2(7) . 2_756 ? 
As7 S22 Pb4 96.4(7) . 2_756 ? 
Pb6 S22 Pb4 94.8(6) 2_756 2_756 ? 
As3 S23 Pb3 103.7(7) . . ? 
As3 S23 Pb4 102.5(7) . 1_455 ? 
Pb3 S23 Pb4 91.2(5) . 1_455 ? 
As4 S24 Pb3 113.3(8) . . ? 
Sb4 S25 Pb16 102.1(6) . 1_455 ? 
Sb4 S25 Pb15 93.9(5) . . ? 
Pb16 S25 Pb15 88.4(5) 1_455 . ? 
Sb4 S25 Pb4 114.9(6) . 1_455 ? 
Pb16 S25 Pb4 91.1(5) 1_455 1_455 ? 
Pb15 S25 Pb4 150.6(6) . 1_455 ? 
As5 S26 Pb16 98.9(5) . . ? 
As5 S26 Pb15 98.4(5) . . ? 
Pb16 S26 Pb15 94.7(4) . . ? 
Sb5 S27 Pb15 99.2(6) . . ? 
Sb5 S27 Pb16 89.6(5) . 1_455 ? 
Pb15 S27 Pb16 88.2(4) . 1_455 ? 
Sb6 S28 Pb15 99.9(6) . . ? 
Sb6 S28 Pb14 92.2(5) . . ? 
Pb15 S28 Pb14 100.0(5) . . ? 
As7 S29 Sb7 99.8(7) 1_455 1_455 ? 
Sb7 S30 Sb6 97.2(6) . . ? 
As6 S31 As7 105.1(7) . 1_455 ? 
As6 S31 Pb4 102.8(6) . 2_656 ? 
As7 S31 Pb4 97.6(5) 1_455 2_656 ? 
As6 S32 Pb3 104.9(7) . 2_656 ? 
As6 S32 Pb17 87.6(6) . . ? 
Pb3 S32 Pb17 164.0(7) 2_656 . ? 
As8 S33 Ag 110.4(7) . . ? 
As8 S33 Pb15 83.5(5) . . ? 
Ag S33 Pb15 76.1(4) . . ? 
As8 S33 Pb5 102.3(6) . . ? 
Ag S33 Pb5 93.4(5) . . ? 
Pb15 S33 Pb5 169.2(6) . . ? 
As8 S34 Ag 111.6(7) 1_655 . ? 
As8 S34 Pb6 105.0(7) 1_655 . ? 
Ag S34 Pb6 93.5(6) . . ? 
As8 S34 Pb16 80.8(6) 1_655 . ? 
Ag S34 Pb16 78.7(5) . . ? 
Pb6 S34 Pb16 171.7(7) . . ? 
As9 S35 Ag 92.5(6) . . ? 
As9 S36 Ag 91.6(7) . . ? 
As9 S36 Pb8 102.2(7) . . ? 
Ag S36 Pb8 92.5(6) . . ? 
Sb9 S37 Sb8 94.0(7) . . ? 
Sb9 S37 Pb18 97.2(7) . . ? 
Sb8 S37 Pb18 92.3(6) . . ? 
Sb10 S38 Pb24 99.4(6) . 1_655 ? 
Sb10 S38 Sb8 99.4(6) . 1_655 ? 
Pb24 S38 Sb8 0.0(2) 1_655 1_655 ? 
Sb10 S38 Sb9 94.9(6) . 1_655 ? 
Pb24 S38 Sb9 89.0(6) 1_655 1_655 ? 
Sb8 S38 Sb9 89.0(6) 1_655 1_655 ? 
Sb10 S38 Pb17 93.1(6) . . ? 
Pb24 S38 Pb17 167.5(8) 1_655 . ? 
Sb8 S38 Pb17 167.5(8) 1_655 . ? 
Sb9 S38 Pb17 88.9(5) 1_655 . ? 
Sb11 S39 Sb9 102.6(5) . . ? 
Sb11 S39 Pb17 105.3(5) . . ? 
Sb9 S39 Pb17 96.4(4) . . ? 
Pb19 S40 Pb17 95.6(6) . . ? 
Pb19 S40 Pb2 102.8(6) . 2_756 ? 
Pb17 S40 Pb2 161.1(7) . 2_756 ? 
Pb19 S40 Pb1 107.4(6) . 2_656 ? 
Pb17 S40 Pb1 92.1(5) . 2_656 ? 
Pb2 S40 Pb1 87.0(5) 2_756 2_656 ? 
Sb8 S41 Pb18 97.9(6) . . ? 
Sb8 S41 Pb8 104.5(6) . 1_455 ? 
Pb18 S41 Pb8 157.6(7) . 1_455 ? 
Sb8 S41 Pb25 91.6(6) . 1_455 ? 
Pb18 S41 Pb25 89.6(5) . 1_455 ? 
Pb8 S41 Pb25 88.7(5) 1_455 1_455 ? 
As9 S42 Pb18 108.0(5) . . ? 
As9 S42 Sb10 97.7(5) . . ? 
Pb18 S42 Sb10 93.8(4) . . ? 
Sb9 S43 Sb18 98.1(6) . 1_455 ? 
Sb9 S43 Pb19 98.1(6) . 1_455 ? 
Sb18 S43 Pb19 0.00(12) 1_455 1_455 ? 
Sb9 S43 Pb25 95.6(6) . 1_455 ? 
Sb18 S43 Pb25 90.5(6) 1_455 1_455 ? 
Pb19 S43 Pb25 90.5(6) 1_455 1_455 ? 
Sb9 S43 Sb10 95.6(6) . 1_455 ? 
Sb18 S43 Sb10 90.5(6) 1_455 1_455 ? 
Pb19 S43 Sb10 90.5(6) 1_455 1_455 ? 
Pb25 S43 Sb10 0.0(2) 1_455 1_455 ? 
Sb9 S43 Pb18 92.9(6) . . ? 
Sb18 S43 Pb18 168.8(7) 1_455 . ? 
Pb19 S43 Pb18 168.8(7) 1_455 . ? 
Pb25 S43 Pb18 90.0(5) 1_455 . ? 
Sb10 S43 Pb18 90.0(5) 1_455 . ? 
Sb10 S44 Pb19 95.6(7) . . ? 
Sb10 S44 Pb17 97.1(7) . . ? 
Pb19 S44 Pb17 92.8(6) . . ? 
Sb11 S45 Sb12 90.8(7) . . ? 
Sb11 S45 Pb2 102.5(7) . 2_656 ? 
Sb12 S45 Pb2 92.4(6) . 2_656 ? 
Sb11 S45 Pb19 100.3(7) . 1_455 ? 
Sb12 S45 Pb19 166.5(8) . 1_455 ? 
Pb2 S45 Pb19 92.6(5) 2_656 1_455 ? 
Sb11 S46 Sb12 92.2(6) . . ? 
Sb11 S46 Pb19 98.9(6) . . ? 
Sb12 S46 Pb19 167.1(7) . . ? 
As2 S47 Pb9 98.3(6) 2_646 . ? 
As2 S47 Pb10 99.9(6) 2_646 1_455 ? 
Pb9 S47 Pb10 89.8(5) . 1_455 ? 
Sb14 S48 As1 0.0(4) 2_646 2_646 ? 
Sb14 S48 Pb9 109.0(7) 2_646 . ? 
As1 S48 Pb9 109.0(7) 2_646 . ? 
As12 S49 Pb18 91.3(6) . . ? 
As12 S49 Pb9 102.4(6) . . ? 
Pb18 S49 Pb9 162.5(7) . . ? 
As12 S50 As11 106.2(9) . 1_655 ? 
As12 S50 Pb10 100.2(7) . . ? 
As11 S50 Pb10 96.0(7) 1_655 . ? 
As13 S51 Sb13 97.2(6) . . ? 
As11 S52 As13 100.2(7) 1_655 1_655 ? 
As11 S52 Sb19 100.2(7) 1_655 1_655 ? 
As13 S52 Sb19 0.0(4) 1_655 1_655 ? 
Sb13 S53 Pb13 92.9(5) 1_554 . ? 
Sb13 S53 Pb21 97.5(5) 1_554 . ? 
Pb13 S53 Pb21 97.3(5) . . ? 
Sb1 S54 Pb21 96.9(5) . . ? 
Sb1 S54 Pb20 90.1(5) . 1_655 ? 
Pb21 S54 Pb20 84.6(4) . 1_655 ? 
Pb22 S55 Sb3 0.00(14) 2_646 2_646 ? 
Pb22 S55 Pb20 98.5(6) 2_646 2_546 ? 
Sb3 S55 Pb20 98.5(6) 2_646 2_546 ? 
Pb22 S55 Sb20 98.5(6) 2_646 2_546 ? 
Sb3 S55 Sb20 98.5(6) 2_646 2_546 ? 
Pb20 S55 Sb20 0.00(17) 2_546 2_546 ? 
Pb22 S55 Pb10 114.1(7) 2_646 1_455 ? 
Sb3 S55 Pb10 114.1(7) 2_646 1_455 ? 
Pb20 S55 Pb10 90.8(6) 2_546 1_455 ? 
Sb20 S55 Pb10 90.8(6) 2_546 1_455 ? 
Pb22 S55 Pb21 92.3(6) 2_646 2_646 ? 
Sb3 S55 Pb21 92.3(6) 2_646 2_646 ? 
Pb20 S55 Pb21 86.5(5) 2_546 2_646 ? 
Sb20 S55 Pb21 86.5(5) 2_546 2_646 ? 
Pb10 S55 Pb21 153.6(7) 1_455 2_646 ? 
As14 S56 Sb2 0.0(4) 2_646 2_646 ? 
As14 S56 Pb20 103.1(6) 2_646 2_646 ? 
Sb2 S56 Pb20 103.1(6) 2_646 2_646 ? 
As14 S56 Sb20 103.1(6) 2_646 2_646 ? 
Sb2 S56 Sb20 103.1(6) 2_646 2_646 ? 
Pb20 S56 Sb20 0.00(19) 2_646 2_646 ? 
As14 S56 Pb21 99.3(6) 2_646 2_646 ? 
Sb2 S56 Pb21 99.3(6) 2_646 2_646 ? 
Pb20 S56 Pb21 98.0(5) 2_646 2_646 ? 
Sb20 S56 Pb21 98.0(5) 2_646 2_646 ? 
As11 S57 Pb12 101.2(7) . 1_455 ? 
As11 S57 Pb11 113.1(7) . . ? 
Pb12 S57 Pb11 84.9(5) 1_455 . ? 
As12 S58 Pb12 104.5(6) . . ? 
As12 S58 Pb11 102.7(6) . . ? 
Pb12 S58 Pb11 93.2(5) . . ? 
As10 S59 Sb12 105.3(5) 2_647 2_647 ? 
As10 S59 Pb11 107.1(5) 2_647 . ? 
Sb12 S59 Pb11 95.2(4) 2_647 . ? 
As10 S60 Sb12 113.1(7) 2_747 2_647 ? 
As10 S60 Pb12 105.1(7) 2_747 . ? 
Sb12 S60 Pb12 93.6(6) 2_647 . ? 
As10 S60 Pb20 82.3(6) 2_747 2_646 ? 
Sb12 S60 Pb20 79.1(5) 2_647 2_646 ? 
Pb12 S60 Pb20 171.3(7) . 2_646 ? 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              23.29 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    1.641 
_refine_diff_density_min   -2.051 
_refine_diff_density_rms    0.357 
