#------------------------------------------------------------------------------ #$Date: 2015-07-08 15:15:24 +0300 (Wed, 08 Jul 2015) $ #$Revision: 141085 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521338.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_1521338 loop_ _publ_author_name 'Mori, K.' 'Kamiyama, T.' 'Kobayashi, H.' 'Izumi, F.' 'Torii, S.' 'Asano, H.' _publ_section_title ; Crystal structure of Sr3 Fe2 O7-d ; _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_page_first 1443 _journal_page_last 1446 _journal_volume 60 _journal_year 1999 _chemical_formula_sum 'Fe2 O6.93 Sr3' _chemical_name_systematic 'Sr3 Fe2 O6.93' _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 3.8591 _cell_length_b 3.8591 _cell_length_c 20.17259 _cell_volume 300.423 _citation_journal_id_ASTM JPCSAW _cod_data_source_file Mori_JPCSAW_1999_214.cif _cod_data_source_block Fe2O6.93Sr3 _cod_original_cell_volume 300.4234 _cod_database_code 1521338 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 O1 O-2 0 0.5 0.09432 1 0.0 O2 O-2 0 0 0.19329 1 0.0 Sr2 Sr+2 0 0 0.31726 1 0.0 Sr1 Sr+2 0 0 0.5 1 0.0 O3 O-2 0 0 0 0.93 0.0 Fe1 Fe+3 0 0 0.09741 1 0.0