#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532612.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_1532612 loop_ _publ_author_name 'Jennings, A.J.' 'Skinner, S.J.' 'Helgason, O.' _publ_section_title ; Structural properties of Lax Sr2-x Fe O4+d at high temperature and under reducing conditions ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 207 _journal_page_last 217 _journal_volume 175 _journal_year 2003 _chemical_formula_sum 'Fe La0.9 O4 Sr1.1' _chemical_name_systematic '(La0.45 Sr0.55)2 Fe O4' _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 3.8939 _cell_length_b 3.8939 _cell_length_c 12.864 _cell_volume 195.050 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Jennings_JSSCBI_2003_190.cif _cod_data_source_block Fe1La0.9O4Sr1.1 _cod_original_cell_volume 195.0499 _cod_original_formula_sum 'Fe1 La0.9 O4 Sr1.1' _cod_database_code 1532612 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 1 0.0 O2 O-2 0 0 0.1687 1 0.0 La1 La+3 0 0 0.3569 0.45 0.0 Sr1 Sr+2 0 0 0.3569 0.55 0.0 Fe1 Fe+3 0 0 0 1 0.0