data_global _amcsd_formula_title 'Ag2.25Pb2.5Bi4.25S10' loop_ _publ_author_name 'Topa D' 'Makovicky E' 'Schimper H J' 'Dittrich H' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 1127 _journal_page_last 1135 _publ_section_title ; The crystal structure of a synthetic orthorhombic N = 8 member of the lillianite homologous series ; _database_code_amcsd 0017871 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Pb2.058 Ag2.33 Bi4.612 S10' _cell_length_a 4.084 _cell_length_b 13.453 _cell_length_c 33.932 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1864.294 _exptl_crystal_density_diffrn 6.991 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+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 Pb1 0.00000 0.09232 0.42149 0.52900 0.03430 Ag1 0.00000 0.09232 0.42149 0.47100 0.03430 Pb2 0.00000 0.27343 0.25000 1.00000 0.04650 Bi1 0.00000 0.18070 0.63252 1.00000 0.02900 Bi2 0.00000 0.36320 0.47431 0.74200 0.03350 Ag2 0.00000 0.36320 0.47431 0.25800 0.03350 Bi3 0.00000 0.45846 0.68301 0.56400 0.03580 Ag3 0.00000 0.45846 0.68301 0.43600 0.03580 S1 0.00000 0.00000 0.50000 1.00000 0.04100 S2 0.00000 0.09056 0.70066 1.00000 0.02900 S3 0.00000 0.19142 0.34185 1.00000 0.03780 S4 0.00000 0.27505 0.54923 1.00000 0.03980 S5 0.00000 0.36942 0.75000 1.00000 0.03800 S6 0.00000 0.45315 0.39715 1.00000 0.03890 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 Pb1 0.03170 0.03080 0.04040 0.00000 0.00000 -0.00270 Ag1 0.03170 0.03080 0.04040 0.00000 0.00000 -0.00270 Pb2 0.03130 0.04070 0.06740 0.00000 0.00000 0.00000 Bi1 0.02710 0.02890 0.03090 0.00000 0.00000 0.00120 Bi2 0.03220 0.03450 0.03380 0.00000 0.00000 0.00050 Ag2 0.03220 0.03450 0.03380 0.00000 0.00000 0.00050 Bi3 0.03070 0.03740 0.03930 0.00000 0.00000 0.00110 Ag3 0.03070 0.03740 0.03930 0.00000 0.00000 0.00110 S1 0.03300 0.03300 0.05500 0.00000 0.00000 -0.00600 S2 0.03200 0.03000 0.02700 0.00000 0.00000 0.00100 S3 0.02900 0.03200 0.05300 0.00000 0.00000 -0.01200 S4 0.04000 0.03900 0.04100 0.00000 0.00000 0.00400 S5 0.02800 0.02800 0.05700 0.00000 0.00000 0.00000 S6 0.03600 0.03600 0.04500 0.00000 0.00000 -0.00400