data_1010312 _chemical_name_systematic 'Bismuth oxide' _chemical_formula_structural 'Bi2 O3' _chemical_formula_sum 'Bi2 O3' _publ_section_title 'X-Ray Studies on Bismuth Trioxide' _publ_author_name 'Sillen, L G' _journal_name_full 'Arkiv foer Kemi, Mineralogi och Geologi, A' _journal_coden_ASTM ARKGAJ _journal_volume 12 _journal_year 1938 _journal_page_first 1 _journal_page_last 15 _journal_issue 18 _cell_length_a 10.93 _cell_length_b 10.93 _cell_length_c 5.62 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 671.4 _cell_formula_units_Z 8 _symmetry_space_group_name_H-M 'C -4 2 b' _symmetry_Int_Tables_number 117 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '-y,x,-z' 'y,-x,-z' '-x,1/2+y,-z' 'y,1/2+x,z' 'x,1/2-y,-z' '-y,1/2-x,z' '1/2+x,1/2+y,z' '1/2-x,1/2-y,z' '1/2-y,1/2+x,-z' '1/2+y,1/2-x,-z' '1/2-x,y,-z' '1/2+y,x,z' '1/2+x,-y,-z' '1/2-y,-x,z' loop_ _atom_type_symbol _atom_type_oxidation_number Bi3+ 3.000 O2- -2.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Bi1 Bi3+ 16 i 0.1362(12) 0.1138(12) 0.25 1. 0 d O1 O2- 8 g 0.0224 0.25 0. 1. 0 d O2 O2- 8 h 0.0224 0.25 0.5 1. 0 d O3 O2- 4 c 0.25 0.25 0. 1. 0 d O4 O2- 4 b 0. 0. 0.5 1. 0 d