#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/08/1530874.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_1530874 loop_ _publ_author_name 'Thornton, G.' 'Tofield, B.C.' 'Hewat, A.W.' _publ_section_title ; A neutron diffraction study of La Co O3 in the temperature range 4.2 < T < 1248 K ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 301 _journal_page_last 307 _journal_volume 61 _journal_year 1986 _chemical_formula_sum 'Co La O3' _chemical_name_systematic 'La Co O3' _space_group_IT_number 167 _symmetry_space_group_name_Hall '-P 3* 2n' _symmetry_space_group_name_H-M 'R -3 c :R' _cell_angle_alpha 60.99 _cell_angle_beta 60.99 _cell_angle_gamma 60.99 _cell_formula_units_Z 2 _cell_length_a 5.3416 _cell_length_b 5.3416 _cell_length_c 5.3416 _cell_volume 110.174 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Thornton_JSSCBI_1986_1141.cif _cod_data_source_block Co1La1O3 _cod_original_cell_volume 110.1737 _cod_original_sg_symbol_Hall '-R 3 2"c (-y+z,x+z,-x+y+z)' _cod_chemical_formula_sum_orig 'Co1 La1 O3' _cod_database_code 1530874 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y+1/2,-x+1/2,-z+1/2 -z+1/2,-y+1/2,-x+1/2 -x+1/2,-z+1/2,-y+1/2 -x,-y,-z -z,-x,-y -y,-z,-x y-1/2,x-1/2,z-1/2 z-1/2,y-1/2,x-1/2 x-1/2,z-1/2,y-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 La1 La+3 0.25 0.25 0.25 1 0.0 O1 O-2 0.1978 0.3021 0.75 1 0.0 Co1 Co+3 0 0 0 1 0.0