data_global _chemical_name_mineral 'Kudriavite' loop_ _publ_author_name 'Balic-Zunic T' 'Makovicky E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 45 _journal_year 2007 _journal_page_first 437 _journal_page_last 443 _publ_section_title ; The crystal structure of kudriavite, (Cd,Pb)Bi2S4 ; _database_code_amcsd 0006143 _chemical_formula_sum 'Cd Pb3.06 Bi4.173 In.771 (S7.6 Se.4)' _cell_length_a 13.095 _cell_length_b 4.0032 _cell_length_c 14.711 _cell_angle_alpha 90 _cell_angle_beta 115.59 _cell_angle_gamma 90 _cell_volume 695.532 _exptl_crystal_density_diffrn 9.465 _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 Cd4 0.50000 0.50000 0.50000 1.00000 0.01830 Pb2 0.21088 0.00000 0.35684 1.00000 0.02690 Bi1 0.34837 0.50000 0.13540 1.00000 0.02050 Bi2* 0.21900 0.00000 0.36600 0.47000 0.01830 Pb2* 0.20300 0.00000 0.34800 0.53000 0.02300 Bi3 0.50000 0.00000 0.00000 0.60300 0.02050 In3 0.50000 0.00000 0.00000 0.39700 0.02050 Bi3* 0.50000 0.00000 0.00000 0.63000 0.01780 In3* 0.51900 0.00000 0.00800 0.18700 0.01700 S1 0.50360 0.00000 0.18820 0.95000 0.01910 Se1 0.50360 0.00000 0.18820 0.05000 0.01910 S2 0.16330 0.00000 0.06030 0.95000 0.02120 Se2 0.16330 0.00000 0.06030 0.05000 0.02120 S3 0.33370 0.50000 0.32130 0.95000 0.02160 Se3 0.33370 0.50000 0.32130 0.05000 0.02160 S4 0.12150 0.50000 0.45900 0.95000 0.01740 Se4 0.12150 0.50000 0.45900 0.05000 0.01740 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 Cd4 0.01510 0.01630 0.02060 0.00000 0.00500 0.00000 Pb2 0.02650 0.01890 0.03510 0.00000 0.01310 0.00000 Bi1 0.02060 0.01700 0.02230 0.00000 0.00760 0.00000 Bi2* 0.01300 0.01940 0.01400 0.00000 -0.00300 0.00000 Pb2* 0.02000 0.01860 0.02400 0.00000 0.00300 0.00000 Bi3 0.01830 0.01500 0.02810 0.00000 0.01000 0.00000 In3 0.01830 0.01500 0.02810 0.00000 0.01000 0.00000 Bi3* 0.00700 0.01500 0.02800 0.00000 0.00500 0.00000 In3* 0.00700 0.01500 0.02800 0.00000 0.00500 0.00000 S1 0.01500 0.01500 0.02200 0.00000 0.00300 0.00000 Se1 0.01500 0.01500 0.02200 0.00000 0.00300 0.00000 S2 0.01800 0.01800 0.02600 0.00000 0.00700 0.00000 Se2 0.01800 0.01800 0.02600 0.00000 0.00700 0.00000 S3 0.02600 0.01900 0.02200 0.00000 0.01200 0.00000 Se3 0.02600 0.01900 0.02200 0.00000 0.01200 0.00000 S4 0.01900 0.01600 0.01800 0.00000 0.00800 0.00000 Se4 0.01900 0.01600 0.01800 0.00000 0.00800 0.00000