#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/18/1531804.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_1531804 loop_ _publ_author_name 'Megdiche, S.' 'Cai, Q.' 'Ellouze, M.' 'Cheikhrouhou, A.' 'Yelon, W.B.' _publ_section_title ; Neutron diffraction, structural and magnetic properties of (La1-y Pry)0.9 Na0.1 Mn O3 ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 30 _journal_page_last 37 _journal_volume 348 _journal_year 2003 _chemical_formula_sum 'La0.184 Mn Na0.082 O3 Pr0.734' _chemical_name_systematic '(La0.184 Pr0.734 Na0.082) Mn 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 5.5457 _cell_length_b 7.7064 _cell_length_c 5.4689 _cell_volume 233.726 _citation_journal_id_ASTM JALCEU _cod_data_source_file Megdiche_JALCEU_2003_1273.cif _cod_data_source_block La0.184Mn1Na0.082O3Pr0.734 _cod_original_cell_volume 233.7265 _cod_original_formula_sum 'La0.184 Mn1 Na0.082 O3 Pr0.734' _cod_database_code 1531804 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 Pr1 Pr+3 -0.0315 0.25 -0.002 0.734 0.0 La1 La+3 -0.0315 0.25 -0.002 0.184 0.0 O2 O-2 0.2077 0.0398 0.7834 1 0.0 Na1 Na+1 -0.0315 0.25 -0.002 0.082 0.0 Mn1 Mn+3 0.5 0 0 1 0.0 O1 O-2 0.509 0.25 0.0682 1 0.0