data_global _chemical_name_mineral 'Cosalite' loop_ _publ_author_name 'Srikrishnan T' 'Nowacki W' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 140 _journal_year 1974 _journal_page_first 114 _journal_page_last 136 _publ_section_title ; A redetermination of the crystal structure of cosalite, Pb2Bi2S5 ; _database_code_amcsd 0010765 _chemical_compound_source 'Cariboo gold mines, Wells, British Columbia, Canada' _chemical_formula_sum 'Bi4 Pb4 S10 Cu.12' _cell_length_a 19.098 _cell_length_b 23.89 _cell_length_c 4.057 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1851.011 _exptl_crystal_density_diffrn 7.152 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi1 0.98212 0.15503 0.25000 1.00000 Bi2 0.09276 0.30330 0.25000 1.00000 Bi3 0.08994 0.01082 0.75000 1.00000 Bi4 0.18547 0.17157 0.75000 1.00000 Pb1 0.27415 0.04064 0.25000 1.00000 Pb2 0.03437 0.43512 0.75000 1.00000 Pb3 0.38270 0.20591 0.25000 1.00000 Pb4 0.29262 0.37318 0.25000 1.00000 S1 0.47660 0.13840 0.75000 1.00000 S2 0.02920 0.22860 0.75000 1.00000 S3 0.41410 0.99870 0.25000 1.00000 S4 0.15180 0.36230 0.75000 1.00000 S5 0.28230 0.46460 0.75000 1.00000 S6 0.22790 0.23760 0.25000 1.00000 S7 0.12780 0.08840 0.25000 1.00000 S8 0.30660 0.12440 0.75000 1.00000 S9 0.36220 0.29590 0.75000 1.00000 S10 0.43460 0.41520 0.25000 1.00000 Cu 0.38600 0.05700 0.75000 0.12000 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 0.01016 0.03036 0.02085 0.00000 0.00000 0.00000 Bi2 0.01256 0.03036 0.02502 0.00000 0.00000 0.00000 Bi3 0.01681 0.03499 0.01918 -0.00023 0.00000 0.00000 Bi4 0.01183 0.03238 0.02668 0.00069 0.00000 0.00000 Pb1 0.01645 0.03643 0.02251 0.00069 0.00000 0.00000 Pb2 0.03400 0.04453 0.03752 -0.00139 0.00000 0.00000 Pb3 0.02476 0.04048 0.02752 0.00023 0.00000 0.00000 Pb4 0.01718 0.04684 0.02835 -0.00023 0.00000 0.00000 S1 0.00739 0.02602 0.02001 -0.00231 0.00000 0.00000 S2 0.00739 0.04915 0.01167 -0.00231 0.00000 0.00000 S3 0.02033 0.03759 0.02335 0.01387 0.00000 0.00000 S4 0.01478 0.02602 0.03419 -0.00231 0.00000 0.00000 S5 0.01663 0.04626 0.01501 0.00000 0.00000 0.00000 S6 0.00370 0.03180 0.02918 -0.00231 0.00000 0.00000 S7 0.00739 0.02602 0.04002 0.01156 0.00000 0.00000 S8 0.00739 0.03759 0.00667 0.00231 0.00000 0.00000 S9 0.02402 0.03759 0.00750 -0.00462 0.00000 0.00000 S10 0.01293 0.03470 0.00917 0.00231 0.00000 0.00000 Cu 0.04989 0.06361 0.06671 0.01387 0.00000 0.00000