#------------------------------------------------------------------------------ #$Date: 2015-07-12 20:55:01 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148032 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/67/1526787.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_1526787 loop_ _publ_author_name 'Teplykh, A.E.' 'Pirogov, A.N.' 'Men'shikov, A.Z.' 'Bazuev, G.V.' _publ_section_title ; Crystal structure and magnetic state of the La Mn1-x Vx O3 perovskites ; _journal_name_full 'Physics of the Solid State' _journal_page_first 2241 _journal_page_last 2249 _journal_volume 42 _journal_year 2000 _chemical_formula_sum 'La Mn0.5 O3 V0.5' _chemical_name_systematic 'La (Mn0.5 V0.5) 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 5.611 _cell_length_b 7.877 _cell_length_c 5.562 _cell_volume 245.828 _citation_journal_id_ASTM PSOSED _cod_data_source_file Teplykh_PSOSED_2000_516.cif _cod_data_source_block La1Mn0.5O3V0.5 _cod_original_cell_volume 245.8284 _cod_chemical_formula_sum_orig 'La1 Mn0.5 O3 V0.5' _cod_database_code 1526787 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 Mn1 Mn+3 0 0 0 0.5 0.0 V1 V+3 0 0 0 0.5 0.0 O1 O-2 -0.0157 0.25 -0.0745 1 0.0 La1 La+3 0.5364 0.25 0.0081 1 0.0 O2 O-2 0.2918 0.0416 0.2148 1 0.0