#------------------------------------------------------------------------------ #$Date: 2015-07-13 22:35:25 +0300 (Mon, 13 Jul 2015) $ #$Revision: 151016 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528580.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_1528580 loop_ _publ_author_name 'Holman, K.L.' 'Huang, Q.' 'Trzebiatowski, K.' 'Klimczuk, T.' 'Cava, R.J.' 'Lynn, J.W.' 'Bos, J.W.G.' 'Morosan, E.' _publ_section_title ; Synthesis and properties of the double perovskites La2 Ni V O6, La2 Co V O6, and La2 Co Ti O6 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 75 _journal_page_last 83 _journal_volume 180 _journal_year 2007 _chemical_formula_sum 'Co0.5 La O3 Ti0.5' _chemical_name_systematic 'La Co0.50 Ti0.50 O3' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 89.955 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.5703 _cell_length_b 5.5957 _cell_length_c 7.8797 _cell_volume 245.608 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Holman_JSSCBI_2007_1217.cif _cod_data_source_block Co0.5La1O3Ti0.5 _cod_cif_authors_sg_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'Co0.5 La1 O3 Ti0.5' _cod_database_code 1528580 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,-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 Ti1 Ti+4 0.5 0 0 0.891 0.0 O2 O-2 0.4239 0.984 0.2493 1 0.0 O3 O-2 0.2263 0.209 -0.0434 1 0.0 Co2 Co+2 0.5 0 0 0.109 0.0 La1 La+3 0.5073 0.5336 0.2478 1 0.0 Co1 Co+2 0 0.5 0 0.891 0.0 O1 O-2 0.2992 0.7175 -0.0365 1 0.0 Ti2 Ti+4 0 0.5 0 0.109 0.0