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 0005924 _chemical_compound_source 'Felbertal Austria' _chemical_formula_sum 'Bi11.58 Ag.42 Cu7.8 S22' _cell_length_a 17.562 _cell_length_b 3.9201 _cell_length_c 27.150 _cell_angle_alpha 90 _cell_angle_beta 92.561 _cell_angle_gamma 90 _cell_volume 1867.269 _exptl_crystal_density_diffrn 6.521 _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 0.03340 BiME2 0.00000 0.00000 0.50000 0.58000 0.03340 AgME2 0.00000 0.00000 0.50000 0.42000 0.03340 Bi1 0.37147 0.50000 0.10117 1.00000 0.03250 Bi2 0.13057 0.50000 0.15252 1.00000 0.03280 Bi3 0.17142 0.00000 0.29526 1.00000 0.03140 Bi4 0.44186 0.50000 0.34474 1.00000 0.03350 Bi5 0.31594 0.00000 0.44807 1.00000 0.03340 Cu1A 0.20280 0.00000 0.02660 0.67000 0.03500 Cu1B 0.17690 0.00000 0.03130 0.23000 0.03500 Cu2 0.30651 0.00000 0.21181 1.00000 0.04830 Cu3 0.49290 0.00000 0.23496 1.00000 0.04010 Cu4 0.12737 0.50000 0.42229 1.00000 0.05250 S1 0.34179 0.00000 0.01089 1.00000 0.03120 S2 0.01159 0.00000 0.07497 1.00000 0.03090 S3 0.21107 0.00000 0.11110 1.00000 0.02960 S4 0.41000 0.00000 0.16263 1.00000 0.03010 S5 0.23697 0.50000 0.22278 1.00000 0.02850 S6 0.06358 0.00000 0.22780 1.00000 0.03010 S7 0.39101 0.00000 0.28721 1.00000 0.03180 S8 0.09547 0.50000 0.34107 1.00000 0.03080 S9 0.29921 0.50000 0.37839 1.00000 0.03020 S10 0.46488 0.00000 0.43114 1.00000 0.03170 S11 0.15111 0.00000 0.46827 1.00000 0.03410 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 0.03890 0.02760 0.03360 0.00000 0.00100 0.00000 BiME2 0.03450 0.03270 0.03290 0.00000 -0.00050 0.00000 AgME2 0.03450 0.03270 0.03290 0.00000 -0.00050 0.00000 Bi1 0.03320 0.03260 0.03180 0.00000 0.00180 0.00000 Bi2 0.03300 0.03330 0.03200 0.00000 0.00020 0.00000 Bi3 0.03000 0.03180 0.03240 0.00000 0.00070 0.00000 Bi4 0.03600 0.03230 0.03210 0.00000 0.00190 0.00000 Bi5 0.03320 0.03210 0.03530 0.00000 0.00500 0.00000 Cu1A 0.04090 0.03340 0.03070 0.00000 0.00040 0.00000 Cu1B 0.04090 0.03340 0.03070 0.00000 0.00040 0.00000 Cu2 0.03890 0.04050 0.06640 0.00000 0.01090 0.00000 Cu3 0.03560 0.03810 0.04640 0.00000 0.00050 0.00000 Cu4 0.08160 0.04160 0.03320 0.00000 -0.01040 0.00000 S1 0.03240 0.02880 0.03240 0.00000 0.00170 0.00000 S2 0.03200 0.02960 0.03110 0.00000 0.00250 0.00000 S3 0.02980 0.02820 0.03080 0.00000 0.00260 0.00000 S4 0.03210 0.03030 0.02760 0.00000 -0.00050 0.00000 S5 0.02960 0.02520 0.03060 0.00000 0.00120 0.00000 S6 0.02900 0.02950 0.03160 0.00000 0.00060 0.00000 S7 0.03530 0.03250 0.02730 0.00000 -0.00090 0.00000 S8 0.02980 0.02940 0.03350 0.00000 0.00570 0.00000 S9 0.02950 0.02950 0.03160 0.00000 0.00220 0.00000 S10 0.03270 0.03250 0.02980 0.00000 0.00100 0.00000 S11 0.03570 0.03220 0.03420 0.00000 0.00040 0.00000