data_global _chemical_name_mineral 'Cosalite' loop_ _publ_author_name 'Topa D' 'Makovicky E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 1081 _journal_page_last 1107 _publ_section_title ; The crystal chemistry of cosalite based on new electron-microprobe data and single-crystal determination of the structure Note: Sample 3 ; _database_code_amcsd 0017818 _chemical_compound_source 'Altenberg, Hobe Tauern Window, Lungau, Austria' _chemical_formula_sum 'Bi3.875 Sb.447 Pb3.32 Ag.331 Cu.203 S10' _cell_length_a 23.652 _cell_length_b 4.0539 _cell_length_c 19.095 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1830.883 _exptl_crystal_density_diffrn 6.971 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Bi1 0.15300 0.75000 0.98546 1.00000 0.02460 Bi2 0.30155 0.75000 0.09556 0.72000 0.02400 Sb2 0.30155 0.75000 0.09556 0.28000 0.02400 PbMe3 0.01034 0.25000 0.09519 1.00000 0.02810 Bi4 0.17259 0.25000 0.18970 0.83300 0.02370 Sb4 0.17259 0.25000 0.18970 0.16700 0.02370 PbMe1 0.04200 0.75000 0.27776 0.32000 0.02870 BiMe1 0.04200 0.75000 0.27776 0.48800 0.02870 Ag1 0.04200 0.75000 0.27776 0.19200 0.02870 BiMe2 0.43385 0.25000 0.03752 0.83400 0.03300 Pb3 0.20675 0.75000 0.38825 1.00000 0.03500 Pb4 0.37231 0.75000 0.29367 1.00000 0.03460 Ag2 0.42000 0.25000 0.97390 0.13900 0.04300 Cu2 0.45100 0.25000 0.11500 0.20300 0.06400 S1 0.14110 0.25000 0.47990 1.00000 0.02670 S2 0.22720 0.25000 0.03040 1.00000 0.02610 S3 0.99930 0.75000 0.41100 1.00000 0.03400 S4 0.36250 0.25000 0.15450 1.00000 0.03100 S5 0.46640 0.25000 0.27890 1.00000 0.02360 S6 0.23860 0.75000 0.23170 1.00000 0.02610 S7 0.08740 0.75000 0.13270 1.00000 0.02760 S8 0.12390 0.25000 0.30980 1.00000 0.02390 S9 0.29810 0.25000 0.36340 1.00000 0.02050 S10 0.42200 0.75000 0.43550 1.00000 0.03000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Bi1 0.02590 0.02890 0.01920 0.00000 -0.00100 0.00000 Bi2 0.02360 0.02840 0.02010 0.00000 -0.00020 0.00000 Sb2 0.02360 0.02850 0.02010 0.00000 -0.00020 0.00000 PbMe3 0.02940 0.02970 0.02520 0.00000 -0.00160 0.00000 Bi4 0.02530 0.02710 0.01890 0.00000 0.00050 0.00000 Sb4 0.02530 0.02710 0.01890 0.00000 0.00050 0.00000 PbMe1 0.02860 0.03300 0.02440 0.00000 0.00110 0.00000 BiMe1 0.02860 0.03300 0.02440 0.00000 0.00110 0.00000 Ag1 0.02700 0.03310 0.02440 0.00000 0.00110 0.00000 BiMe2 0.03150 0.03560 0.03180 0.00000 -0.00350 0.00000 Pb3 0.03660 0.03180 0.03660 0.00000 -0.00140 0.00000 Pb4 0.04130 0.03450 0.02790 0.00000 0.00100 0.00000 Ag2 0.04200 0.03900 0.04700 0.00000 0.01700 0.00000 Cu2 0.05300 0.05000 0.09000 0.00000 -0.00700 0.00000 S1 0.03200 0.03100 0.01700 0.00000 0.00300 0.00000 S2 0.02600 0.03200 0.02100 0.00000 -0.00300 0.00000 S3 0.03400 0.03500 0.03200 0.00000 0.00700 0.00000 S4 0.02800 0.04600 0.01700 0.00000 -0.00500 0.00000 S5 0.02200 0.02500 0.02400 0.00000 -0.00300 0.00000 S6 0.02100 0.03600 0.02100 0.00000 -0.00100 0.00000 S7 0.02900 0.03200 0.02100 0.00000 0.00100 0.00000 S8 0.02900 0.03100 0.01200 0.00000 0.00100 0.00000 S9 0.02300 0.02300 0.01500 0.00000 -0.00100 0.00000 S10 0.03000 0.03400 0.02500 0.00000 0.00600 0.00000