data_te-canfi _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'Ag4 S3 Sn0 Te' _chemical_formula_weight 655.26 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'Ag' 'Ag' -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Te' 'Te' -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Sn' 'Sn' -0.6537 1.4246 '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' '-x, -y, z' '-x, y, -z' 'y, -x, -z' '-y, -x, z' '-y, x, -z' 'y, x, z' 'y, z, x' '-y, -z, x' 'y, -z, -x' '-y, z, -x' 'z, -y, -x' 'z, y, x' '-z, y, -x' '-z, -y, x' 'z, x, y' '-z, x, -y' '-z, -x, y' 'z, -x, -y' 'x, z, y' 'x, -z, -y' '-x, z, -y' '-x, -z, y' 'x, y+1/2, z+1/2' 'x, -y+1/2, -z+1/2' '-x, -y+1/2, z+1/2' '-x, y+1/2, -z+1/2' 'y, -x+1/2, -z+1/2' '-y, -x+1/2, z+1/2' '-y, x+1/2, -z+1/2' 'y, x+1/2, z+1/2' 'y, z+1/2, x+1/2' '-y, -z+1/2, x+1/2' 'y, -z+1/2, -x+1/2' '-y, z+1/2, -x+1/2' 'z, -y+1/2, -x+1/2' 'z, y+1/2, x+1/2' '-z, y+1/2, -x+1/2' '-z, -y+1/2, x+1/2' 'z, x+1/2, y+1/2' '-z, x+1/2, -y+1/2' '-z, -x+1/2, y+1/2' 'z, -x+1/2, -y+1/2' 'x, z+1/2, y+1/2' 'x, -z+1/2, -y+1/2' '-x, z+1/2, -y+1/2' '-x, -z+1/2, y+1/2' 'x+1/2, y, z+1/2' 'x+1/2, -y, -z+1/2' '-x+1/2, -y, z+1/2' '-x+1/2, y, -z+1/2' 'y+1/2, -x, -z+1/2' '-y+1/2, -x, z+1/2' '-y+1/2, x, -z+1/2' 'y+1/2, x, z+1/2' 'y+1/2, z, x+1/2' '-y+1/2, -z, x+1/2' 'y+1/2, -z, -x+1/2' '-y+1/2, z, -x+1/2' 'z+1/2, -y, -x+1/2' 'z+1/2, y, x+1/2' '-z+1/2, y, -x+1/2' '-z+1/2, -y, x+1/2' 'z+1/2, x, y+1/2' '-z+1/2, x, -y+1/2' '-z+1/2, -x, y+1/2' 'z+1/2, -x, -y+1/2' 'x+1/2, z, y+1/2' 'x+1/2, -z, -y+1/2' '-x+1/2, z, -y+1/2' '-x+1/2, -z, y+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, -z' '-x+1/2, -y+1/2, z' '-x+1/2, y+1/2, -z' 'y+1/2, -x+1/2, -z' '-y+1/2, -x+1/2, z' '-y+1/2, x+1/2, -z' 'y+1/2, x+1/2, z' 'y+1/2, z+1/2, x' '-y+1/2, -z+1/2, x' 'y+1/2, -z+1/2, -x' '-y+1/2, z+1/2, -x' 'z+1/2, -y+1/2, -x' 'z+1/2, y+1/2, x' '-z+1/2, y+1/2, -x' '-z+1/2, -y+1/2, x' 'z+1/2, x+1/2, y' '-z+1/2, x+1/2, -y' '-z+1/2, -x+1/2, y' 'z+1/2, -x+1/2, -y' 'x+1/2, z+1/2, y' 'x+1/2, -z+1/2, -y' '-x+1/2, z+1/2, -y' '-x+1/2, -z+1/2, y' _cell_length_a 11.0003(6) _cell_length_b 11.0003(6) _cell_length_c 11.0003(6) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 1331.11(13) _cell_formula_units_Z 9 _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 7.357 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2592 _exptl_absorpt_coefficient_mu 18.794 _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 13824 _diffrn_reflns_av_R_equivalents 0.1137 _diffrn_reflns_av_sigmaI/netI 0.0144 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_limit_l_max 14 _diffrn_reflns_theta_min 3.21 _diffrn_reflns_theta_max 27.77 _reflns_number_total 194 _reflns_number_gt 191 _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^)+(0.0313P)^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 0.0021(2) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881' _refine_ls_abs_structure_Flack 0.04(2) _refine_ls_number_reflns 194 _refine_ls_number_parameters 21 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0308 _refine_ls_R_factor_gt 0.0308 _refine_ls_wR_factor_ref 0.0565 _refine_ls_wR_factor_gt 0.0565 _refine_ls_goodness_of_fit_ref 1.660 _refine_ls_restrained_S_all 1.660 _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 Sn Sn 0.2500 0.2500 0.2500 0.0362(4) Uani 1 24 d S . . Ag1 Ag 0.22165(14) 0.0000 0.0000 0.0458(4) Uani 0.42 4 d SP . . Ag2 Ag 0.42938(6) 0.42938(6) 0.76192(9) 0.0465(4) Uani 0.46 2 d SP . . S1 S 0.37500(6) 0.37500(6) 0.37500(6) 0.0502(7) Uani 0.580(9) 6 d SP . . Te1 Te 0.37500(6) 0.37500(6) 0.37500(6) 0.0502(7) Uani 0.420(9) 6 d SP . . S2 S 0.0000 0.0000 0.0000 0.0490(10) Uani 0.782(7) 24 d SP . . Te2 Te 0.0000 0.0000 0.0000 0.0490(10) Uani 0.218(7) 24 d SP . . S3 S 0.7500 0.7500 0.7500 0.0492(11) Uani 0.795(7) 24 d SP . . Te3 Te 0.7500 0.7500 0.7500 0.0492(11) Uani 0.205(7) 24 d SP . . 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 Sn 0.0362(4) 0.0362(4) 0.0362(4) 0.000 0.000 0.000 Ag1 0.0460(9) 0.0457(6) 0.0457(6) 0.0000(7) 0.000 0.000 Ag2 0.0465(4) 0.0465(4) 0.0465(6) 0.0001(3) 0.0001(3) 0.0000(5) S1 0.0502(7) 0.0502(7) 0.0502(7) 0.0002(3) 0.0002(3) 0.0002(3) Te1 0.0502(7) 0.0502(7) 0.0502(7) 0.0002(3) 0.0002(3) 0.0002(3) S2 0.0490(10) 0.0490(10) 0.0490(10) 0.000 0.000 0.000 Te2 0.0490(10) 0.0490(10) 0.0490(10) 0.000 0.000 0.000 S3 0.0492(11) 0.0492(11) 0.0492(11) 0.000 0.000 0.000 Te3 0.0492(11) 0.0492(11) 0.0492(11) 0.000 0.000 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 Sn S1 2.3816(12) . ? Sn Te1 2.3816(12) 52 ? Sn S1 2.3816(12) 26 ? Sn S1 2.3816(12) 75 ? Sn S1 2.3816(12) 52 ? Sn Te1 2.3816(12) 26 ? Sn Te1 2.3816(12) 75 ? Ag1 Ag2 1.1134(10) 40_654 ? Ag1 Ag2 1.1134(10) 39_645 ? Ag1 S2 2.4382(16) . ? Ag1 Te1 2.5743(11) 26 ? Ag1 S1 2.5743(11) 26 ? Ag1 Te1 2.5743(11) 25_544 ? Ag1 S1 2.5743(11) 25_544 ? Ag1 Ag2 3.1973(11) 60_545 ? Ag1 Ag2 3.1973(11) 75_554 ? Ag1 Ag2 3.1973(11) 58_564 ? Ag1 Ag2 3.1973(11) 76_546 ? Ag2 Ag1 1.1134(10) 83_556 ? Ag2 Ag2 2.197(2) 3_665 ? Ag2 Ag2 2.6051(17) 62_455 ? Ag2 Ag2 2.6051(17) 33_545 ? Ag2 Te1 2.6939(7) 4_656 ? Ag2 Te1 2.6939(7) 2_566 ? Ag2 S1 2.6939(7) 4_656 ? Ag2 S1 2.6939(7) 2_566 ? Ag2 Te3 2.7936(10) 73_445 ? Ag2 S3 2.7936(10) 73_445 ? Ag2 Te2 2.8401(10) 73_556 ? Ag2 S2 2.8401(10) 73_556 ? S1 Ag1 2.5743(11) 81 ? S1 Ag1 2.5743(11) 25 ? S1 Ag1 2.5743(11) 55 ? S1 Ag2 2.6939(7) 16_665 ? S1 Ag2 2.6939(7) 2_566 ? S1 Ag2 2.6939(7) 4_656 ? S1 Ag2 2.6939(7) 10_665 ? S1 Ag2 2.6939(7) 11_566 ? S1 Ag2 2.6939(7) 15_656 ? S2 Ag1 2.4382(16) 11 ? S2 Ag1 2.4382(16) 3 ? S2 Ag1 2.4382(16) 5 ? S2 Ag1 2.4382(16) 7 ? S2 Ag1 2.4382(16) 9 ? S2 Ag2 2.8401(10) 38_444 ? S2 Ag2 2.8401(10) 73_444 ? S2 Ag2 2.8401(10) 57_444 ? S2 Ag2 2.8401(10) 40_654 ? S2 Ag2 2.8401(10) 76_546 ? S2 Ag2 2.8401(10) 39_645 ? S3 Ag2 2.7936(10) 38 ? S3 Ag2 2.7936(10) 73 ? S3 Ag2 2.7936(10) 57 ? S3 Ag2 2.7936(10) 13_566 ? S3 Ag2 2.7936(10) 12_656 ? S3 Ag2 2.7936(10) 3_665 ? S3 Ag2 2.7936(10) 50_566 ? S3 Ag2 2.7936(10) 28_656 ? S3 Ag2 2.7936(10) 64_665 ? S3 Ag2 2.7936(10) 34_665 ? S3 Ag2 2.7936(10) 83_566 ? S3 Ag2 2.7936(10) 87_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 S1 Sn Te1 109.5 . 52 ? S1 Sn S1 109.5 . 26 ? Te1 Sn S1 109.5 52 26 ? S1 Sn S1 109.5 . 75 ? Te1 Sn S1 109.5 52 75 ? S1 Sn S1 109.5 26 75 ? S1 Sn S1 109.5 . 52 ? Te1 Sn S1 0.00(5) 52 52 ? S1 Sn S1 109.5 26 52 ? S1 Sn S1 109.5 75 52 ? S1 Sn Te1 109.5 . 26 ? Te1 Sn Te1 109.5 52 26 ? S1 Sn Te1 0.00(5) 26 26 ? S1 Sn Te1 109.5 75 26 ? S1 Sn Te1 109.5 52 26 ? S1 Sn Te1 109.5 . 75 ? Te1 Sn Te1 109.5 52 75 ? S1 Sn Te1 109.5 26 75 ? S1 Sn Te1 0.00(5) 75 75 ? S1 Sn Te1 109.5 52 75 ? Te1 Sn Te1 109.5 26 75 ? Ag2 Ag1 Ag2 161.3(2) 40_654 39_645 ? Ag2 Ag1 S2 99.34(10) 40_654 . ? Ag2 Ag1 S2 99.34(10) 39_645 . ? Ag2 Ag1 Te1 83.89(7) 40_654 26 ? Ag2 Ag1 Te1 83.89(7) 39_645 26 ? S2 Ag1 Te1 130.94(4) . 26 ? Ag2 Ag1 S1 83.89(7) 40_654 26 ? Ag2 Ag1 S1 83.89(7) 39_645 26 ? S2 Ag1 S1 130.94(4) . 26 ? Te1 Ag1 S1 0.00(3) 26 26 ? Ag2 Ag1 Te1 83.89(7) 40_654 25_544 ? Ag2 Ag1 Te1 83.89(7) 39_645 25_544 ? S2 Ag1 Te1 130.94(4) . 25_544 ? Te1 Ag1 Te1 98.12(7) 26 25_544 ? S1 Ag1 Te1 98.12(7) 26 25_544 ? Ag2 Ag1 S1 83.89(7) 40_654 25_544 ? Ag2 Ag1 S1 83.89(7) 39_645 25_544 ? S2 Ag1 S1 130.94(4) . 25_544 ? Te1 Ag1 S1 98.12(7) 26 25_544 ? S1 Ag1 S1 98.12(7) 26 25_544 ? Te1 Ag1 S1 0.000(3) 25_544 25_544 ? Ag2 Ag1 Ag2 145.63(8) 40_654 60_545 ? Ag2 Ag1 Ag2 48.95(7) 39_645 60_545 ? S2 Ag1 Ag2 58.69(3) . 60_545 ? Te1 Ag1 Ag2 130.409(18) 26 60_545 ? S1 Ag1 Ag2 130.409(18) 26 60_545 ? Te1 Ag1 Ag2 91.88(2) 25_544 60_545 ? S1 Ag1 Ag2 91.88(2) 25_544 60_545 ? Ag2 Ag1 Ag2 48.95(7) 40_654 75_554 ? Ag2 Ag1 Ag2 145.63(8) 39_645 75_554 ? S2 Ag1 Ag2 58.69(3) . 75_554 ? Te1 Ag1 Ag2 130.409(18) 26 75_554 ? S1 Ag1 Ag2 130.409(18) 26 75_554 ? Te1 Ag1 Ag2 91.88(2) 25_544 75_554 ? S1 Ag1 Ag2 91.88(2) 25_544 75_554 ? Ag2 Ag1 Ag2 97.36(5) 60_545 75_554 ? Ag2 Ag1 Ag2 48.95(7) 40_654 58_564 ? Ag2 Ag1 Ag2 145.63(8) 39_645 58_564 ? S2 Ag1 Ag2 58.69(3) . 58_564 ? Te1 Ag1 Ag2 91.88(2) 26 58_564 ? S1 Ag1 Ag2 91.88(2) 26 58_564 ? Te1 Ag1 Ag2 130.409(18) 25_544 58_564 ? S1 Ag1 Ag2 130.409(18) 25_544 58_564 ? Ag2 Ag1 Ag2 117.39(6) 60_545 58_564 ? Ag2 Ag1 Ag2 48.08(3) 75_554 58_564 ? Ag2 Ag1 Ag2 145.63(8) 40_654 76_546 ? Ag2 Ag1 Ag2 48.95(7) 39_645 76_546 ? S2 Ag1 Ag2 58.69(3) . 76_546 ? Te1 Ag1 Ag2 91.88(2) 26 76_546 ? S1 Ag1 Ag2 91.88(2) 26 76_546 ? Te1 Ag1 Ag2 130.409(18) 25_544 76_546 ? S1 Ag1 Ag2 130.409(18) 25_544 76_546 ? Ag2 Ag1 Ag2 48.08(3) 60_545 76_546 ? Ag2 Ag1 Ag2 117.39(6) 75_554 76_546 ? Ag2 Ag1 Ag2 97.36(5) 58_564 76_546 ? Ag1 Ag2 Ag2 9.34(10) 83_556 3_665 ? Ag1 Ag2 Ag2 112.25(8) 83_556 62_455 ? Ag2 Ag2 Ag2 120.0 3_665 62_455 ? Ag1 Ag2 Ag2 112.25(8) 83_556 33_545 ? Ag2 Ag2 Ag2 120.0 3_665 33_545 ? Ag2 Ag2 Ag2 60.0 62_455 33_545 ? Ag1 Ag2 Te1 71.84(6) 83_556 4_656 ? Ag2 Ag2 Te1 65.93(2) 3_665 4_656 ? Ag2 Ag2 Te1 163.78(3) 62_455 4_656 ? Ag2 Ag2 Te1 103.79(3) 33_545 4_656 ? Ag1 Ag2 Te1 71.84(6) 83_556 2_566 ? Ag2 Ag2 Te1 65.93(2) 3_665 2_566 ? Ag2 Ag2 Te1 103.79(3) 62_455 2_566 ? Ag2 Ag2 Te1 163.78(3) 33_545 2_566 ? Te1 Ag2 Te1 92.42(6) 4_656 2_566 ? Ag1 Ag2 S1 71.84(6) 83_556 4_656 ? Ag2 Ag2 S1 65.93(2) 3_665 4_656 ? Ag2 Ag2 S1 163.78(3) 62_455 4_656 ? Ag2 Ag2 S1 103.79(3) 33_545 4_656 ? Te1 Ag2 S1 0.000(4) 4_656 4_656 ? Te1 Ag2 S1 92.42(6) 2_566 4_656 ? Ag1 Ag2 S1 71.84(6) 83_556 2_566 ? Ag2 Ag2 S1 65.93(2) 3_665 2_566 ? Ag2 Ag2 S1 103.79(3) 62_455 2_566 ? Ag2 Ag2 S1 163.78(3) 33_545 2_566 ? Te1 Ag2 S1 92.42(6) 4_656 2_566 ? Te1 Ag2 S1 0.000(4) 2_566 2_566 ? S1 Ag2 S1 92.42(6) 4_656 2_566 ? Ag1 Ag2 Te3 173.35(11) 83_556 73_445 ? Ag2 Ag2 Te3 177.31(2) 3_665 73_445 ? Ag2 Ag2 Te3 62.208(17) 62_455 73_445 ? Ag2 Ag2 Te3 62.208(17) 33_545 73_445 ? Te1 Ag2 Te3 112.40(3) 4_656 73_445 ? Te1 Ag2 Te3 112.40(3) 2_566 73_445 ? S1 Ag2 Te3 112.40(3) 4_656 73_445 ? S1 Ag2 Te3 112.40(3) 2_566 73_445 ? Ag1 Ag2 S3 173.35(11) 83_556 73_445 ? Ag2 Ag2 S3 177.31(2) 3_665 73_445 ? Ag2 Ag2 S3 62.208(17) 62_455 73_445 ? Ag2 Ag2 S3 62.208(17) 33_545 73_445 ? Te1 Ag2 S3 112.40(3) 4_656 73_445 ? Te1 Ag2 S3 112.40(3) 2_566 73_445 ? S1 Ag2 S3 112.40(3) 4_656 73_445 ? S1 Ag2 S3 112.40(3) 2_566 73_445 ? Te3 Ag2 S3 0.0 73_445 73_445 ? Ag1 Ag2 Te2 57.90(9) 83_556 73_556 ? Ag2 Ag2 Te2 67.24(2) 3_665 73_556 ? Ag2 Ag2 Te2 62.701(17) 62_455 73_556 ? Ag2 Ag2 Te2 62.701(17) 33_545 73_556 ? Te1 Ag2 Te2 110.97(3) 4_656 73_556 ? Te1 Ag2 Te2 110.97(3) 2_566 73_556 ? S1 Ag2 Te2 110.97(3) 4_656 73_556 ? S1 Ag2 Te2 110.97(3) 2_566 73_556 ? Te3 Ag2 Te2 115.45(3) 73_445 73_556 ? S3 Ag2 Te2 115.45(3) 73_445 73_556 ? Ag1 Ag2 S2 57.90(9) 83_556 73_556 ? Ag2 Ag2 S2 67.24(2) 3_665 73_556 ? Ag2 Ag2 S2 62.701(17) 62_455 73_556 ? Ag2 Ag2 S2 62.701(17) 33_545 73_556 ? Te1 Ag2 S2 110.97(3) 4_656 73_556 ? Te1 Ag2 S2 110.97(3) 2_566 73_556 ? S1 Ag2 S2 110.97(3) 4_656 73_556 ? S1 Ag2 S2 110.97(3) 2_566 73_556 ? Te3 Ag2 S2 115.45(3) 73_445 73_556 ? S3 Ag2 S2 115.45(3) 73_445 73_556 ? Te2 Ag2 S2 0.0 73_556 73_556 ? Sn S1 Ag1 103.80(4) . 81 ? Sn S1 Ag1 103.80(4) . 25 ? Ag1 S1 Ag1 114.50(3) 81 25 ? Sn S1 Ag1 103.80(4) . 55 ? Ag1 S1 Ag1 114.50(3) 81 55 ? Ag1 S1 Ag1 114.50(3) 25 55 ? Sn S1 Ag2 105.46(3) . 16_665 ? Ag1 S1 Ag2 91.00(2) 81 16_665 ? Ag1 S1 Ag2 24.27(2) 25 16_665 ? Ag1 S1 Ag2 134.71(4) 55 16_665 ? Sn S1 Ag2 105.46(3) . 2_566 ? Ag1 S1 Ag2 24.27(2) 81 2_566 ? Ag1 S1 Ag2 91.00(2) 25 2_566 ? Ag1 S1 Ag2 134.71(4) 55 2_566 ? Ag2 S1 Ag2 67.06(4) 16_665 2_566 ? Sn S1 Ag2 105.46(3) . 4_656 ? Ag1 S1 Ag2 24.27(2) 81 4_656 ? Ag1 S1 Ag2 134.71(4) 25 4_656 ? Ag1 S1 Ag2 91.00(2) 55 4_656 ? Ag2 S1 Ag2 113.17(3) 16_665 4_656 ? Ag2 S1 Ag2 48.14(4) 2_566 4_656 ? Sn S1 Ag2 105.46(3) . 10_665 ? Ag1 S1 Ag2 91.00(2) 81 10_665 ? Ag1 S1 Ag2 134.71(4) 25 10_665 ? Ag1 S1 Ag2 24.27(2) 55 10_665 ? Ag2 S1 Ag2 147.56(6) 16_665 10_665 ? Ag2 S1 Ag2 113.17(3) 2_566 10_665 ? Ag2 S1 Ag2 67.06(4) 4_656 10_665 ? Sn S1 Ag2 105.46(3) . 11_566 ? Ag1 S1 Ag2 134.71(4) 81 11_566 ? Ag1 S1 Ag2 91.00(2) 25 11_566 ? Ag1 S1 Ag2 24.27(2) 55 11_566 ? Ag2 S1 Ag2 113.17(3) 16_665 11_566 ? Ag2 S1 Ag2 147.56(6) 2_566 11_566 ? Ag2 S1 Ag2 113.17(3) 4_656 11_566 ? Ag2 S1 Ag2 48.14(4) 10_665 11_566 ? Sn S1 Ag2 105.46(3) . 15_656 ? Ag1 S1 Ag2 134.71(4) 81 15_656 ? Ag1 S1 Ag2 24.27(2) 25 15_656 ? Ag1 S1 Ag2 91.00(2) 55 15_656 ? Ag2 S1 Ag2 48.14(4) 16_665 15_656 ? Ag2 S1 Ag2 113.17(3) 2_566 15_656 ? Ag2 S1 Ag2 147.56(6) 4_656 15_656 ? Ag2 S1 Ag2 113.17(3) 10_665 15_656 ? Ag2 S1 Ag2 67.06(4) 11_566 15_656 ? Ag1 S2 Ag1 90.0 . 11 ? Ag1 S2 Ag1 180.0 . 3 ? Ag1 S2 Ag1 90.0 11 3 ? Ag1 S2 Ag1 90.0 . 5 ? Ag1 S2 Ag1 90.0 11 5 ? Ag1 S2 Ag1 90.0 3 5 ? Ag1 S2 Ag1 90.0 . 7 ? Ag1 S2 Ag1 90.0 11 7 ? Ag1 S2 Ag1 90.0 3 7 ? Ag1 S2 Ag1 180.0 5 7 ? Ag1 S2 Ag1 90.0 . 9 ? Ag1 S2 Ag1 180.0 11 9 ? Ag1 S2 Ag1 90.0 3 9 ? Ag1 S2 Ag1 90.0 5 9 ? Ag1 S2 Ag1 90.0 7 9 ? Ag1 S2 Ag2 157.24(2) . 38_444 ? Ag1 S2 Ag2 74.125(13) 11 38_444 ? Ag1 S2 Ag2 22.76(2) 3 38_444 ? Ag1 S2 Ag2 74.125(13) 5 38_444 ? Ag1 S2 Ag2 105.875(13) 7 38_444 ? Ag1 S2 Ag2 105.875(13) 9 38_444 ? Ag1 S2 Ag2 105.875(13) . 73_444 ? Ag1 S2 Ag2 22.76(2) 11 73_444 ? Ag1 S2 Ag2 74.125(13) 3 73_444 ? Ag1 S2 Ag2 74.125(13) 5 73_444 ? Ag1 S2 Ag2 105.875(13) 7 73_444 ? Ag1 S2 Ag2 157.24(2) 9 73_444 ? Ag2 S2 Ag2 54.60(3) 38_444 73_444 ? Ag1 S2 Ag2 105.875(13) . 57_444 ? Ag1 S2 Ag2 74.125(13) 11 57_444 ? Ag1 S2 Ag2 74.125(13) 3 57_444 ? Ag1 S2 Ag2 22.76(2) 5 57_444 ? Ag1 S2 Ag2 157.24(2) 7 57_444 ? Ag1 S2 Ag2 105.875(13) 9 57_444 ? Ag2 S2 Ag2 54.60(3) 38_444 57_444 ? Ag2 S2 Ag2 54.60(3) 73_444 57_444 ? Ag1 S2 Ag2 22.76(2) . 40_654 ? Ag1 S2 Ag2 74.125(13) 11 40_654 ? Ag1 S2 Ag2 157.24(2) 3 40_654 ? Ag1 S2 Ag2 105.875(13) 5 40_654 ? Ag1 S2 Ag2 74.125(13) 7 40_654 ? Ag1 S2 Ag2 105.875(13) 9 40_654 ? Ag2 S2 Ag2 148.25(3) 38_444 40_654 ? Ag2 S2 Ag2 94.291(7) 73_444 40_654 ? Ag2 S2 Ag2 115.446(14) 57_444 40_654 ? Ag1 S2 Ag2 74.125(13) . 76_546 ? Ag1 S2 Ag2 157.24(2) 11 76_546 ? Ag1 S2 Ag2 105.875(13) 3 76_546 ? Ag1 S2 Ag2 74.125(13) 5 76_546 ? Ag1 S2 Ag2 105.875(13) 7 76_546 ? Ag1 S2 Ag2 22.76(2) 9 76_546 ? Ag2 S2 Ag2 115.446(14) 38_444 76_546 ? Ag2 S2 Ag2 148.25(3) 73_444 76_546 ? Ag2 S2 Ag2 94.291(7) 57_444 76_546 ? Ag2 S2 Ag2 94.291(7) 40_654 76_546 ? Ag1 S2 Ag2 22.76(2) . 39_645 ? Ag1 S2 Ag2 105.875(13) 11 39_645 ? Ag1 S2 Ag2 157.24(2) 3 39_645 ? Ag1 S2 Ag2 74.125(13) 5 39_645 ? Ag1 S2 Ag2 105.875(13) 7 39_645 ? Ag1 S2 Ag2 74.125(13) 9 39_645 ? Ag2 S2 Ag2 148.25(3) 38_444 39_645 ? Ag2 S2 Ag2 115.446(14) 73_444 39_645 ? Ag2 S2 Ag2 94.291(7) 57_444 39_645 ? Ag2 S2 Ag2 45.52(4) 40_654 39_645 ? Ag2 S2 Ag2 54.60(3) 76_546 39_645 ? Ag2 S3 Ag2 55.58(3) 38 73 ? Ag2 S3 Ag2 55.58(3) 38 57 ? Ag2 S3 Ag2 55.58(3) 73 57 ? Ag2 S3 Ag2 174.62(4) 38 13_566 ? Ag2 S3 Ag2 119.927(1) 73 13_566 ? Ag2 S3 Ag2 119.927(1) 57 13_566 ? Ag2 S3 Ag2 119.927(1) 38 12_656 ? Ag2 S3 Ag2 119.927(1) 73 12_656 ? Ag2 S3 Ag2 174.62(4) 57 12_656 ? Ag2 S3 Ag2 64.37(3) 13_566 12_656 ? Ag2 S3 Ag2 119.927(1) 38 3_665 ? Ag2 S3 Ag2 174.62(4) 73 3_665 ? Ag2 S3 Ag2 119.927(1) 57 3_665 ? Ag2 S3 Ag2 64.37(3) 13_566 3_665 ? Ag2 S3 Ag2 64.37(3) 12_656 3_665 ? Ag2 S3 Ag2 119.927(1) 38 50_566 ? Ag2 S3 Ag2 90.126(2) 73 50_566 ? Ag2 S3 Ag2 64.37(3) 57 50_566 ? Ag2 S3 Ag2 55.58(3) 13_566 50_566 ? Ag2 S3 Ag2 119.927(1) 12_656 50_566 ? Ag2 S3 Ag2 90.126(2) 3_665 50_566 ? Ag2 S3 Ag2 64.37(3) 38 28_656 ? Ag2 S3 Ag2 90.126(2) 73 28_656 ? Ag2 S3 Ag2 119.927(1) 57 28_656 ? Ag2 S3 Ag2 119.927(1) 13_566 28_656 ? Ag2 S3 Ag2 55.58(3) 12_656 28_656 ? Ag2 S3 Ag2 90.126(2) 3_665 28_656 ? Ag2 S3 Ag2 174.62(4) 50_566 28_656 ? Ag2 S3 Ag2 90.126(2) 38 64_665 ? Ag2 S3 Ag2 119.927(1) 73 64_665 ? Ag2 S3 Ag2 64.37(3) 57 64_665 ? Ag2 S3 Ag2 90.126(2) 13_566 64_665 ? Ag2 S3 Ag2 119.927(1) 12_656 64_665 ? Ag2 S3 Ag2 55.58(3) 3_665 64_665 ? Ag2 S3 Ag2 64.37(3) 50_566 64_665 ? Ag2 S3 Ag2 119.927(1) 28_656 64_665 ? Ag2 S3 Ag2 64.37(3) 38 34_665 ? Ag2 S3 Ag2 119.927(1) 73 34_665 ? Ag2 S3 Ag2 90.126(2) 57 34_665 ? Ag2 S3 Ag2 119.927(1) 13_566 34_665 ? Ag2 S3 Ag2 90.126(2) 12_656 34_665 ? Ag2 S3 Ag2 55.58(3) 3_665 34_665 ? Ag2 S3 Ag2 119.927(1) 50_566 34_665 ? Ag2 S3 Ag2 64.37(3) 28_656 34_665 ? Ag2 S3 Ag2 55.58(3) 64_665 34_665 ? Ag2 S3 Ag2 119.927(1) 38 83_566 ? Ag2 S3 Ag2 64.37(3) 73 83_566 ? Ag2 S3 Ag2 90.126(2) 57 83_566 ? Ag2 S3 Ag2 55.58(3) 13_566 83_566 ? Ag2 S3 Ag2 90.126(2) 12_656 83_566 ? Ag2 S3 Ag2 119.927(1) 3_665 83_566 ? Ag2 S3 Ag2 55.58(3) 50_566 83_566 ? Ag2 S3 Ag2 119.927(1) 28_656 83_566 ? Ag2 S3 Ag2 119.927(1) 64_665 83_566 ? Ag2 S3 Ag2 174.62(4) 34_665 83_566 ? Ag2 S3 Ag2 90.126(2) 38 87_656 ? Ag2 S3 Ag2 64.37(3) 73 87_656 ? Ag2 S3 Ag2 119.927(1) 57 87_656 ? Ag2 S3 Ag2 90.126(2) 13_566 87_656 ? Ag2 S3 Ag2 55.58(3) 12_656 87_656 ? Ag2 S3 Ag2 119.927(1) 3_665 87_656 ? Ag2 S3 Ag2 119.927(1) 50_566 87_656 ? Ag2 S3 Ag2 55.58(3) 28_656 87_656 ? Ag2 S3 Ag2 174.62(4) 64_665 87_656 ? Ag2 S3 Ag2 119.927(1) 34_665 87_656 ? Ag2 S3 Ag2 64.37(3) 83_566 87_656 ? _diffrn_measured_fraction_theta_max 0.991 _diffrn_reflns_theta_full 27.77 _diffrn_measured_fraction_theta_full 0.991 _refine_diff_density_max 1.386 _refine_diff_density_min -1.996 _refine_diff_density_rms 0.556