#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/82/1008260.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_1008260 loop_ _publ_author_name 'Demazeau, G' 'Courbin, P' 'le, Flem G' 'Pouchard, M' 'Hagenmueller, P' 'Soubeyroux, J L' 'Main, I G' 'Robins, G A' _publ_section_title ; Proprietes structurales et magnetiques de Sr La Co O~4~. Une discussion de la structure electronique du cobalt trivalent ; _journal_coden_ASTM NJCHD4 _journal_name_full 'Nouveau Journal de Chimie' _journal_page_first 171 _journal_page_last 174 _journal_volume 3 _journal_year 1979 _chemical_formula_structural 'SR LA CO O4' _chemical_formula_sum 'Co La O4 Sr' _chemical_name_systematic 'STRONTIUM LANTHANUM COBALT(III) OXIDE' _space_group_IT_number 139 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_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 3.806(3) _cell_length_b 3.806(3) _cell_length_c 12.500(5) _cell_volume 181.1 _cod_database_code 1008260 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x,y,z x,-y,z -y,x,z y,-x,z y,x,z -y,-x,z -x,-y,-z x,y,-z x,-y,-z -x,y,-z y,-x,-z -y,x,-z -y,-x,-z y,x,-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2+x,1/2-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Sr1 Sr2+ 4 e 0. 0. 0.359(2) 0.5 0 d La1 La3+ 4 e 0. 0. 0.359(2) 0.5 0 d Co1 Co3+ 2 a 0. 0. 0. 1. 0 d O1 O2- 4 c 0. 0.5 0. 1. 0 d O2 O2- 4 e 0. 0. 0.163(2) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Sr2+ 2.000 La3+ 3.000 Co3+ 3.000 O2- -2.000