#------------------------------------------------------------------------------ #$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $ #$Revision: 720 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1010004.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_1010004 _chemical_name_systematic 'Bismuth oxide - $-alpha' _chemical_formula_structural 'Bi2 O3' _chemical_formula_sum 'Bi2 O3' _publ_section_title ; Die Kristallstruktur des monoklinen $-alpha-Bi~2~ O~3~ ; loop_ _publ_author_name 'Sillen, L G' _journal_name_full 'Naturwissenschaften' _journal_coden_ASTM NATWAY _journal_volume 28 _journal_year 1940 _journal_page_first 206 _journal_page_last 207 _cell_length_a 5.83 _cell_length_b 8.14 _cell_length_c 7.48 _cell_angle_alpha 90 _cell_angle_beta 67.07 _cell_angle_gamma 90 _cell_volume 326.9 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P 1 21/c 1' _symmetry_Int_Tables_number 14 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,1/2+y,1/2-z' '-x,-y,-z' 'x,1/2-y,1/2+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+ 4 e 0.520(5) 0.1875(5) 0.635(5) 1. 0 d Bi2 Bi3+ 4 e 0.040(5) 0.043(5) 0.225(5) 1. 0 d O1 O2- 4 e 0.615(5) 0.278(5) 0.316(5) 1. 0 d O2 O2- 4 e 0.631(5) 0.027(5) 0.113(5) 1. 0 d O3 O2- 4 e 0.024(5) 0.084(5) 0.460(5) 1. 0 d