data_global _chemical_name_mineral 'Bismuthinite' loop_ _publ_author_name 'Lundegaard L F' 'Makovicky E' 'Boffa Ballaran T' 'Balic-Zunic T' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 32 _journal_year 2005 _journal_page_first 578 _journal_page_last 584 _publ_section_title ; Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Sample: P = 7.22 GPa ; _database_code_amcsd 0009009 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Bi2 S3' _cell_length_a 10.701 _cell_length_b 3.8655 _cell_length_c 10.565 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 437.018 _exptl_crystal_density_diffrn 7.815 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-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 -0.00290 0.25000 0.67440 0.01600 Bi2 0.32750 0.25000 0.46740 0.01770 S1 0.04930 0.25000 0.12960 0.01100 S2 0.37450 0.25000 0.06070 0.01600 S3 0.22320 0.25000 0.79900 0.01300