#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:56:42 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174247 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542193.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_1542193 loop_ _publ_author_name 'Fedulov, S.A.' 'Zhdanov, G.S.' 'Venevtsev, Yu.N.' 'Smazhevskaya, E.G.' 'Rez, I.S.' _publ_section_title ; X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system ; _journal_name_full Kristallografiya _journal_page_first 77 _journal_page_last 83 _journal_volume 7 _journal_year 1962 _chemical_formula_sum 'Bi0.5 Fe0.5 O3 Pb0.5 Ti0.5' _chemical_name_systematic '(Bi0.5 Pb0.5) (Fe0.5 Ti0.5) O3' _space_group_IT_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 3.88 _cell_length_b 3.88 _cell_length_c 4.37 _cell_volume 65.788 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Fedulov_KRISAJ_1962_844.cif _cod_data_source_block Bi0.5Fe0.5O3Pb0.5Ti0.5 _cod_original_cell_volume 65.78773 _cod_database_code 1542193 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z 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 O2 O-2 0.5 0.5 0 1 0.0 Fe1 Fe+3 0.5 0.5 0.5 0.5 0.0 Ti1 Ti+4 0.5 0.5 0.5 0.5 0.0 O1 O-2 0.5 0 0.5 1 0.0 Pb1 Pb+2 0 0 0 0.5 0.0 Bi1 Bi+3 0 0 0 0.5 0.0