#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/36/1533633.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_1533633 loop_ _publ_author_name 'Haas, O.' 'Struis, R.P.W.J.' 'McBreen, J.M.' _publ_section_title ; Synchrotron X-ray absorption of La Co O3 perovskite ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1000 _journal_page_last 1010 _journal_volume 177 _journal_year 2004 _chemical_formula_sum 'Co La O3' _chemical_name_systematic 'La (Co O3)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-I 2ya' _symmetry_space_group_name_H-M 'I 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 91.056 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.3611 _cell_length_b 5.4316 _cell_length_c 7.6318 _cell_volume 222.195 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Haas_JSSCBI_2004_1610.cif _cod_data_source_block Co1La1O3 _cod_original_cell_volume 222.1953 _cod_original_sg_symbol_Hall '-C 2yc (x+z,y,-x)' _cod_original_formula_sum 'Co1 La1 O3' _cod_database_code 1533633 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y,-z -x,-y,-z x-1/2,-y,z x+1/2,y+1/2,z+1/2 -x+1,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 x,-y+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 0.25 0.6932 0 1 0.0 La1 La+3 0.25 0.25019 0 1 0.0 O2 O-2 0.0241 0.0332 0.2293 1 0.0 Co1 Co+3 0.75 0.25 0.25 1 0.0