data_global _chemical_name_mineral 'Hodrushite' loop_ _publ_author_name 'Topa D' 'Makovicky E' 'Balic-Zunic T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 1481 _journal_page_last 1501 _publ_section_title ; Crystal structures and crystal chemistry of members of the cuprobismutite homologous series of sulfosalts ; _database_code_amcsd 0005925 _chemical_compound_source 'Swartberg, South Africa' _chemical_formula_sum 'Bi5.875 Cu4.25 S11' _cell_length_a 17.527 _cell_length_b 3.901 _cell_length_c 27.120 _cell_angle_alpha 90 _cell_angle_beta 92.343 _cell_angle_gamma 90 _cell_volume 1852.721 _exptl_crystal_density_diffrn 6.634 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 BiME1 0.00000 0.50000 0.00000 1.00000 0.01760 BiME2 0.00000 0.00000 0.50000 0.75000 0.01910 Cu5c 0.02660 0.00000 0.45390 0.25000 0.01910 Bi1 0.37068 0.50000 0.10071 1.00000 0.01670 Bi2 0.12877 0.50000 0.15199 1.00000 0.01730 Bi3 0.16960 0.00000 0.29461 1.00000 0.01570 Bi4 0.44038 0.50000 0.34288 1.00000 0.01850 Bi5 0.31627 0.00000 0.44844 1.00000 0.02040 Cu1A 0.21040 0.00000 0.02507 0.41000 0.02340 Cu1B 0.19030 0.00000 0.02828 0.59000 0.02340 Cu2 0.30355 0.00000 0.21016 1.00000 0.03430 Cu3 0.49043 0.00000 0.23403 1.00000 0.02320 Cu4 0.13079 0.50000 0.42145 1.00000 0.03870 S1 0.34188 0.00000 0.01111 1.00000 0.01520 S2 0.01147 0.00000 0.07500 1.00000 0.01480 S3 0.20945 0.00000 0.11085 1.00000 0.01470 S4 0.40824 0.00000 0.16270 1.00000 0.01330 S5 0.23393 0.50000 0.22249 1.00000 0.01310 S6 0.06053 0.00000 0.22787 1.00000 0.01530 S7 0.38830 0.00000 0.28623 1.00000 0.01540 S8 0.09441 0.50000 0.34133 1.00000 0.01390 S9 0.29927 0.50000 0.37966 1.00000 0.01520 S10 0.46382 0.00000 0.43090 1.00000 0.01640 S11 0.15078 0.00000 0.46710 1.00000 0.01690 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 BiME1 0.02370 0.01300 0.01610 0.00000 0.00270 0.00000 BiME2 0.01980 0.02120 0.01630 0.00000 0.00250 0.00000 Cu5c 0.01980 0.02120 0.01630 0.00000 0.00250 0.00000 Bi1 0.01840 0.01820 0.01380 0.00000 0.00380 0.00000 Bi2 0.01880 0.01870 0.01460 0.00000 0.00260 0.00000 Bi3 0.01530 0.01790 0.01410 0.00000 0.00230 0.00000 Bi4 0.02260 0.01740 0.01570 0.00000 0.00310 0.00000 Bi5 0.01950 0.02230 0.01980 0.00000 0.00640 0.00000 Cu2 0.02830 0.02350 0.05240 0.00000 0.01870 0.00000 Cu3 0.02070 0.02130 0.02780 0.00000 0.00160 0.00000 Cu4 0.06530 0.02870 0.02130 0.00000 -0.00840 0.00000 S1 0.01690 0.01590 0.01320 0.00000 0.00560 0.00000 S2 0.01750 0.01290 0.01420 0.00000 0.00390 0.00000 S3 0.01460 0.01670 0.01280 0.00000 0.00270 0.00000 S4 0.01610 0.01510 0.00890 0.00000 0.00430 0.00000 S5 0.01510 0.01260 0.01190 0.00000 0.00340 0.00000 S6 0.01430 0.01330 0.01810 0.00000 -0.00060 0.00000 S7 0.01980 0.01790 0.00840 0.00000 0.00020 0.00000 S8 0.01610 0.01480 0.01140 0.00000 0.00520 0.00000 S9 0.01540 0.01690 0.01330 0.00000 0.00250 0.00000 S10 0.01780 0.01840 0.01350 0.00000 0.00570 0.00000 S11 0.01840 0.01520 0.01730 0.00000 0.00290 0.00000