#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/22/7222207.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_7222207 loop_ _publ_author_name 'Rodriguez, E.' 'Lopez, M.L.' 'Campo, J.' 'Pico, C.' 'Veiga, M.L.' _publ_section_title ; Crystal and magnetic structure of the perovskites La2 M Ti O6 (M = Co, Ni) ; _journal_name_full 'Journal of Materials Chemistry' _journal_page_first 2798 _journal_page_last 2802 _journal_volume 12 _journal_year 2002 _chemical_formula_sum 'Co La2 O6 Ti' _chemical_name_systematic 'La2 Co (Ti O6)' _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 89.86 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.5621 _cell_length_b 5.5667 _cell_length_c 7.8502 _cell_volume 243.061 _citation_journal_id_ASTM JMACEP _cod_data_source_file Rodriguez_JMACEP_2002_1154.cif _cod_data_source_block Co1La2O6Ti1 _cod_original_cell_volume 243.0614 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_original_formula_sum 'Co1 La2 O6 Ti1' _cod_database_code 7222207 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 Co1 Co+2 0.5 0 0 0.26 0.0 Co2 Co+2 0 0.5 0 0.74 0.0 Ti1 Ti+4 0.5 0 0 0.74 0.0 O2 O-2 0.2688 0.7229 -0.0306 1 0.0 O1 O-2 0.2038 0.2126 -0.0428 1 0.0 Ti2 Ti+4 0 0.5 0 0.26 0.0 La1 La+3 0.5064 0.5293 0.2506 1 0.0 O3 O-2 0.4245 0.9898 0.2518 1 0.0