#------------------------------------------------------------------------------ #$Date: 2015-09-06 16:14:22 +0300 (Sun, 06 Sep 2015) $ #$Revision: 154878 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529945.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_1529945 loop_ _publ_author_name 'Fries, T.' 'Mayer von Kuerthy, G.' 'Kemmler-Sack, S.' 'Ehmann, A.' _publ_section_title ; The system ((Bi,Pb) O)2 Sr2 Bi3 Fe4 O13+z ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 1 _journal_page_last 7 _journal_volume 154 _journal_year 1989 _chemical_formula_sum 'Bi4.15 Fe4 O15 Pb0.45 Sr2' _chemical_name_systematic 'Bi4.15 Pb0.45 Sr2 Fe4 O15' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.886 _cell_length_b 3.886 _cell_length_c 48.56 _cell_volume 733.304 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Fries_JCOMAH_1989_1830.cif _cod_data_source_block Bi4.15Fe4O15Pb0.45Sr2 _cod_original_cell_volume 733.3044 _cod_database_code 1529945 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 x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+1/2,z+1/2 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 0.042 1 0.0 Bi1 Bi+3 0.5 0.5 0.2192 0.675 0.0 Sr1 Sr+2 0 0 0.8375 0.5 0.0 O4 O-2 0 0 0.218 1 0.0 Fe2 Fe+3 0.5 0.5 0.123 1 0.0 O2 O-2 0.5 0.5 0.087 1 0.0 Bi3 Bi+3 0 0 0.0781 0.9 0.0 O3 O-2 0.5 0.5 0.839 1 0.0 Sr2 Sr+2 0 0 0 1 0.0 Pb1 Pb+2 0.5 0.5 0.2192 0.225 0.0 O6 O-2 0.5 0 0.123 1 0.0 O1 O-2 0.5 0.5 0 1 0.0 O5 O-2 0.5 0 0.039 1 0.0 Bi2 Bi+3 0 0 0.8375 0.5 0.0