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 5 ; _database_code_amcsd 0017820 _chemical_compound_source 'Erzwiess, Hobe Tauern Window, Gasteinertal, Austria' _chemical_formula_sum 'Bi4 Pb3.643 Ag.308 Cu.358 S10' _cell_length_a 23.846 _cell_length_b 4.0559 _cell_length_c 19.066 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1844.006 _exptl_crystal_density_diffrn 7.087 _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 0.15453 0.75000 0.98219 1.00000 0.01440 Bi2 0.30367 0.75000 0.09249 1.00000 0.01610 PbMe3 0.01079 0.25000 0.09038 1.00000 0.01790 Bi4 0.17164 0.25000 0.18539 1.00000 0.01540 PbMe1 0.04031 0.75000 0.27519 0.64300 0.01950 BiMe1 0.04031 0.75000 0.27519 0.30100 0.01950 Ag1 0.04800 0.75000 0.26400 0.05600 0.01950 BiMe2 0.43582 0.25000 0.03430 0.69900 0.02660 Pb3 0.20579 0.75000 0.38330 1.00000 0.02700 Pb4 0.37240 0.75000 0.29210 1.00000 0.02650 Ag2 0.41600 0.25000 0.97260 0.25200 0.04300 Cu2 0.45030 0.25000 0.11410 0.35800 0.04600 S1 0.13830 0.25000 0.47650 1.00000 0.01870 S2 0.22920 0.25000 0.02920 1.00000 0.01780 S3 0.99880 0.75000 0.40990 1.00000 0.02760 S4 0.36330 0.25000 0.15310 1.00000 0.01920 S5 0.46550 0.25000 0.28070 1.00000 0.01840 S6 0.23780 0.75000 0.22810 1.00000 0.01550 S7 0.08830 0.75000 0.12850 1.00000 0.01710 S8 0.12360 0.25000 0.30660 1.00000 0.01720 S9 0.29610 0.25000 0.36060 1.00000 0.01470 S10 0.41650 0.75000 0.43350 1.00000 0.01680 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 0.01170 0.01760 0.01390 0.00000 -0.00040 0.00000 Bi2 0.01300 0.01960 0.01550 0.00000 -0.00090 0.00000 PbMe3 0.01600 0.01960 0.01810 0.00000 -0.00140 0.00000 Bi4 0.01350 0.01850 0.01420 0.00000 0.00080 0.00000 PbMe1 0.01600 0.02270 0.01990 0.00000 0.00150 0.00000 BiMe1 0.01600 0.02270 0.01990 0.00000 0.00150 0.00000 Ag1 0.01600 0.02270 0.01990 0.00000 15.00000 0.00000 BiMe2 0.01850 0.02850 0.03280 0.00000 -0.00400 0.00000 Pb3 0.02470 248.00000 0.03150 0.00000 -0.00030 0.00000 Pb4 0.03100 0.02680 0.02180 0.00000 0.00080 0.00000 Ag2 0.04000 0.04000 0.04700 0.00000 0.00700 0.00000 Cu2 0.02900 0.04600 0.06400 0.00000 -11.00000 0.00000 S1 0.01900 0.02400 0.01300 0.00000 -0.00100 0.00000 S2 0.01600 0.02100 0.01700 0.00000 -0.00400 0.00000 S3 0.02300 0.02700 0.03300 0.00000 0.00500 0.00000 S4 0.01700 0.02400 0.01700 0.00000 -0.00700 0.00000 S5 0.01500 0.02100 0.01900 0.00000 -0.00300 0.00000 S6 0.01200 0.01900 0.01500 0.00000 -0.00100 0.00000 S7 0.01400 0.02100 0.01700 0.00000 -0.00200 0.00000 S8 0.01900 0.02200 0.01100 0.00000 0.00300 0.00000 S9 0.01600 0.01600 0.01200 0.00000 -0.00100 0.00000 S10 0.01400 0.01800 0.01800 0.00000 0.00100 0.00000