data_global _chemical_name_mineral 'Pavonite' loop_ _publ_author_name 'Makovicky E' 'Mumme W G' 'Watts J A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 15 _journal_year 1977 _journal_page_first 339 _journal_page_last 348 _publ_section_title ; The crystal structure of synthetic pavonite, AgBi3S5, and the definition of the pavonite homologous series ; _database_code_amcsd 0005141 _chemical_formula_sum 'Bi3 Ag S5' _cell_length_a 13.305 _cell_length_b 4.042 _cell_length_c 16.417 _cell_angle_alpha 90 _cell_angle_beta 94.02 _cell_angle_gamma 90 _cell_volume 880.714 _exptl_crystal_density_diffrn 6.751 _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_U_iso_or_equiv Bi1 0.23690 0.50000 0.11100 0.02343 Bi2 0.47220 0.00000 0.21690 0.02622 Bi3 0.21920 0.00000 0.38910 0.02748 Ag1 0.00000 0.00000 0.00000 0.03179 Ag2 0.00000 0.50000 0.50000 0.03078 S1 0.36880 0.00000 0.05340 0.01520 S2 0.09790 0.00000 0.14790 0.02786 S3 0.33860 0.50000 0.26120 0.01254 S4 0.07720 0.50000 0.36030 0.01748 S5 0.34390 0.50000 0.46640 0.01900