#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/03/1010313.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1010313 loop_ _publ_author_name 'Sillen, L G' _publ_section_title 'X-Ray Studies on Bismuth Trioxide' _journal_coden_ASTM ARKGAJ _journal_issue 18 _journal_name_full 'Arkiv foer Kemi, Mineralogi och Geologi, A' _journal_page_first 1 _journal_page_last 15 _journal_volume 12 _journal_year 1938 _chemical_formula_structural 'Bi2 O3' _chemical_formula_sum 'Bi2 O3' _chemical_name_systematic 'Bismuth oxide' _space_group_IT_number 197 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 197 _symmetry_space_group_name_Hall 'I 2 2 3' _symmetry_space_group_name_H-M 'I 2 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 12 _cell_length_a 10.08 _cell_length_b 10.08 _cell_length_c 10.08 _cell_volume 1024.2 _cod_database_code 1010313 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,-y,-z y,-z,-x z,-x,-y -x,y,-z -y,z,-x -z,x,-y -x,-y,z -y,-z,x -z,-x,y 1/2+x,1/2+y,1/2+z 1/2+y,1/2+z,1/2+x 1/2+z,1/2+x,1/2+y 1/2+x,1/2-y,1/2-z 1/2+y,1/2-z,1/2-x 1/2+z,1/2-x,1/2-y 1/2-x,1/2+y,1/2-z 1/2-y,1/2+z,1/2-x 1/2-z,1/2+x,1/2-y 1/2-x,1/2-y,1/2+z 1/2-y,1/2-z,1/2+x 1/2-z,1/2-x,1/2+y 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+ 24 f 0.32 0.18 0.02 1. 0 d O1 O2- 24 f 0.36 0.08 0.21 1. 0 d O2 O2- 12 d 0.19 0. 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Bi3+ 3.000 O2- -2.000