#------------------------------------------------------------------------------ #$Date: 2015-09-04 18:05:48 +0300 (Fri, 04 Sep 2015) $ #$Revision: 154061 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/96/1529600.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_1529600 loop_ _publ_author_name 'Battle, P.D.' 'Gibb, T.C.' 'Lightfoot, P.' _publ_section_title ; The crystal and magnetic structures of Sr2 Co Fe O5 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 334 _journal_page_last 339 _journal_volume 76 _journal_year 1988 _chemical_formula_sum 'Co Fe O5 Sr2' _chemical_name_systematic 'Sr2 Co Fe O5' _space_group_IT_number 74 _symmetry_space_group_name_Hall '-I 2 2b' _symmetry_space_group_name_H-M 'I c m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.6243 _cell_length_b 15.6515 _cell_length_c 5.5017 _cell_volume 484.308 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Battle_JSSCBI_1988_1677.cif _cod_data_source_block Co1Fe1O5Sr2 _cod_cif_authors_sg_Hall '-I 2b 2 (z,y,-x)' _cod_original_cell_volume 484.3076 _cod_chemical_formula_sum_orig 'Co1 Fe1 O5 Sr2' _cod_database_code 1529600 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y+1/2,-z -x,-y,z -x,y+1/2,-z -x,-y,-z -x,y-1/2,z x,y,-z x,-y-1/2,z x+1/2,y+1/2,z+1/2 x+1/2,-y+1,-z+1/2 -x+1/2,-y+1/2,z+1/2 -x+1/2,y+1,-z+1/2 -x+1/2,-y+1/2,-z+1/2 -x+1/2,y,z+1/2 x+1/2,y+1/2,-z+1/2 x+1/2,-y,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 O3 O-2 0.8669 0.25 0.626 0.5 0.0 Fe2 Fe+3 0.9335 0.25 0.0391 0.216 0.0 O1 O-2 0.25 0.994 0.25 1 0.0 Co1 Co+3 0 0 0 0.433 0.0 O2 O-2 0.0443 0.1409 0 1 0.0 Co2 Co+3 0.9335 0.25 0.0391 0.284 0.0 Fe1 Fe+3 0 0 0 0.567 0.0 Sr1 Sr+2 0.0112 0.1101 0.5 1 0.0