#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526294.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_1526294 loop_ _publ_author_name 'Prado, F.' 'Armstrong, T.' 'Manthiram, A.' 'Caneiro, A.' _publ_section_title ; Structural stability and oxygen permeation properties of Sr3-x Lax Fe2-y Coy O7-d (0 <= x <= 0.3 and 0 <= y <= 1.0) ; _journal_name_full 'Journal of the Electrochemical Society' _journal_page_first 7 _journal_page_last 14 _journal_volume 148 _journal_year 2001 _chemical_formula_sum 'Co Fe La0.3 O6.66 Sr2.7' _chemical_name_systematic '(Sr2.7 La0.3) (Fe Co) O6.66' _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 3.842 _cell_length_b 3.842 _cell_length_c 20.107 _cell_volume 296.799 _citation_journal_id_ASTM JESOAN _cod_data_source_file Prado_JESOAN_2001_1377.cif _cod_data_source_block Co1Fe1La0.3O6.66Sr2.7 _cod_original_cell_volume 296.7987 _cod_original_formula_sum 'Co1 Fe1 La0.3 O6.66 Sr2.7' _cod_database_code 1526294 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 Sr2 Sr+2 0 0 0.3175 0.9 0.0 Fe1 Fe+3 0 0 0.0988 0.5 0.0 Co1 Co+3 0 0 0.0988 0.5 0.0 Sr1 Sr+2 0 0 0.5 0.9 0.0 O3 O-2 0 0.5 0.0924 1 0.0 La2 La+3 0 0 0.3175 0.1 0.0 O2 O-2 0 0 0.1955 1 0.0 O1 O-2 0 0 0 0.66 0.0 La1 La+3 0 0 0.5 0.1 0.0