#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/10/1531017.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_1531017 loop_ _publ_author_name 'Zaslavskii, A.I.' 'Tutov, A.G.' _publ_section_title ; The structure of new antiferromagnetic Bi Fe O3 ; _journal_name_full 'Doklady Akademii Nauk SSSR' _journal_page_first 815 _journal_page_last 817 _journal_volume 135 _journal_year 1960 _chemical_formula_sum 'Bi Fe O3' _chemical_name_systematic 'Bi Fe O3' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-P 3* 2' _symmetry_space_group_name_H-M 'R -3 m :R' _cell_angle_alpha 89.6 _cell_angle_beta 89.6 _cell_angle_gamma 89.6 _cell_formula_units_Z 1 _cell_length_a 3.952 _cell_length_b 3.952 _cell_length_c 3.952 _cell_volume 61.719 _citation_journal_id_ASTM DANKAS _cod_data_source_file Zaslavskii_DANKAS_1960_1984.cif _cod_data_source_block Bi1Fe1O3 _cod_original_cell_volume 61.71904 _cod_original_sg_symbol_Hall '-R 3 2" (-y+z,x+z,-x+y+z)' _cod_original_formula_sum 'Bi1 Fe1 O3' _cod_database_code 1531017 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y,-x,-z -z,-y,-x -x,-z,-y -x,-y,-z -z,-x,-y -y,-z,-x y,x,z z,y,x x,z,y loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Fe1 Fe+3 0.5 0.5 0.5 1 0.0 O1 O-2 0 0.5 0.5 1 0.0 Bi1 Bi+3 0 0 0 1 0.0