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 1 ; _database_code_amcsd 0017816 _chemical_compound_source 'Felbertal scheelite deposit, Hobe Tauern Window, Pinzgau, Austria' _chemical_formula_sum 'Bi4 Pb3.904 Ag.014 Cu.132 S10' _cell_length_a 23.870 _cell_length_b 4.0647 _cell_length_c 19.130 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1856.077 _exptl_crystal_density_diffrn 7.069 _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 0.15479 0.75000 0.98271 1.00000 0.03660 Bi2 0.30228 0.75000 0.09385 1.00000 0.03910 PbMe3 0.01046 0.25000 0.09059 1.00000 0.04040 Bi4 0.17144 0.25000 0.18658 1.00000 0.03810 PbMe1 0.04032 0.75000 0.27444 0.90400 0.04170 BiMe1 0.04032 0.75000 0.27444 0.08200 0.04170 Ag1 0.04032 0.75000 0.27444 0.01400 0.04170 BiMe2 0.43393 0.25000 0.03475 0.91800 0.04470 Pb3 0.20582 0.75000 0.38343 1.00000 0.04770 Pb4 0.37334 0.75000 0.29318 1.00000 0.04710 Cu1 0.41900 0.25000 0.97800 0.05700 0.05000 Cu2 0.45200 0.25000 0.11000 0.07500 0.09000 S1 0.13890 0.25000 0.47760 1.00000 0.04100 S2 0.22930 0.25000 0.02960 1.00000 0.03900 S3 0.99830 0.75000 0.41400 1.00000 0.04600 S4 0.36360 0.25000 0.15240 1.00000 0.04000 S5 0.46420 0.25000 0.28190 1.00000 0.03900 S6 0.23800 0.75000 0.22870 1.00000 0.03600 S7 0.08770 0.75000 0.12950 1.00000 0.03900 S8 0.12470 0.25000 0.30750 1.00000 0.03700 S9 0.29560 0.25000 0.36160 1.00000 0.03700 S10 0.41650 0.75000 0.43430 1.00000 0.04000 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 0.03680 0.03900 0.03390 0.00000 -0.00090 0.00000 Bi2 0.03820 0.04180 0.03710 0.00000 -0.00010 0.00000 PbMe3 0.04050 0.04070 0.03990 0.00000 -0.00130 0.00000 Bi4 0.03870 0.04050 0.03520 0.00000 0.00090 0.00000 PbMe1 0.04070 0.04300 0.04140 0.00000 0.00020 0.00000 BiMe1 0.04070 0.04300 0.04140 0.00000 0.00020 0.00000 Ag1 0.04070 0.04300 0.04140 0.00000 0.00020 0.00000 BiMe2 0.04150 0.04580 0.04670 0.00000 -0.00180 0.00000 Pb3 0.04760 0.04520 0.05040 0.00000 0.00050 0.00000 Pb4 0.05070 0.04820 0.04240 0.00000 0.00070 0.00000 Cu1 0.08000 0.04000 0.04000 0.00000 0.02000 0.00000 Cu2 0.05000 0.07000 0.16000 0.00000 0.03000 0.00000 S1 0.04200 0.04300 0.03700 0.00000 -0.00100 0.00000 S2 0.03700 0.03900 0.04200 0.00000 -0.00500 0.00000 S3 0.04800 0.04500 0.04500 0.00000 0.00400 0.00000 S4 0.04000 0.04400 0.03600 0.00000 -0.00300 0.00000 S5 0.03800 0.03700 0.04100 0.00000 -0.00500 0.00000 S6 0.03500 0.03400 0.03800 0.00000 -0.00100 0.00000 S7 0.04000 0.03800 0.03900 0.00000 -0.00100 0.00000 S8 0.03800 0.04000 0.03300 0.00000 0.00200 0.00000 S9 0.03400 0.04100 0.03500 0.00000 -0.00100 0.00000 S10 0.03700 0.04300 0.04100 0.00000 -0.00100 0.00000