#------------------------------------------------------------------------------ #$Date: 2015-07-13 22:35:17 +0300 (Mon, 13 Jul 2015) $ #$Revision: 151015 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/85/1528579.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_1528579 loop_ _publ_author_name 'Holman, K.L.' 'Huang, Q.' 'Klimczuk, T.' 'Lynn, J.W.' 'Trzebiatowski, K.' 'Bos, J.W.G.' 'Cava, R.J.' '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 'Co0.55 La O3 V0.45' _chemical_name_systematic 'La Co0.55 V0.45 O3' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.5402 _cell_length_b 7.8247 _cell_length_c 5.5429 _cell_volume 240.287 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Holman_JSSCBI_2007_1216.cif _cod_data_source_block Co0.55La1O3V0.45 _cod_chemical_formula_sum_orig 'Co0.55 La1 O3 V0.45' _cod_database_code 1528579 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 0.0318 0.25 0.0125 1 0.0 V1 V+4 0 0 0.5 0.447 0.0 O2 O-2 0.4905 0.25 -0.0793 1 0.0 Co1 Co+2 0 0 0.5 0.553 0.0 O1 O-2 0.2809 0.035 0.2854 1 0.0