#------------------------------------------------------------------------------ #$Date: 2015-09-17 04:11:14 +0300 (Thu, 17 Sep 2015) $ #$Revision: 156579 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/12/1531211.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_1531211 loop_ _publ_author_name 'Borca, C.N.' 'Adenwalla, S.' 'Liou, S.-H.' 'Xu, Q.L.' 'Robertson, J.L.' 'Dowben, P.A.' _publ_section_title ; Neutron powder diffraction studies of La0.65 Pb0.35 Mn O3 perovskite ; _journal_name_full 'Materials Letters' _journal_page_first 325 _journal_page_last 329 _journal_volume 57 _journal_year 2002 _chemical_formula_sum 'La0.65 Mn O3 Pb0.35' _chemical_name_systematic '(La0.65 Pb0.35) (Mn O3)' _space_group_IT_number 167 _symmetry_space_group_name_Hall '-R 3 2"c' _symmetry_space_group_name_H-M 'R -3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 6 _cell_length_a 5.5074 _cell_length_b 5.5074 _cell_length_c 13.3478 _cell_volume 350.617 _citation_journal_id_ASTM MLETDJ _cod_data_source_file Borca_MLETDJ_2002_761.cif _cod_data_source_block La0.65Mn1O3Pb0.35 _cod_original_cell_volume 350.6175 _cod_chemical_formula_sum_orig 'La0.65 Mn1 O3 Pb0.35' _cod_database_code 1531211 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z+1/2 -x,-x+y,-z+1/2 x-y,-y,-z+1/2 -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z-1/2 x,x-y,z-1/2 -x+y,y,z-1/2 x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 y+2/3,x+1/3,-z+5/6 -x+2/3,-x+y+1/3,-z+5/6 x-y+2/3,-y+1/3,-z+5/6 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 -y+2/3,-x+1/3,z-1/6 x+2/3,x-y+1/3,z-1/6 -x+y+2/3,y+1/3,z-1/6 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 y+1/3,x+2/3,-z+7/6 -x+1/3,-x+y+2/3,-z+7/6 x-y+1/3,-y+2/3,-z+7/6 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 -y+1/3,-x+2/3,z+1/6 x+1/3,x-y+2/3,z+1/6 -x+y+1/3,y+2/3,z+1/6 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 1 0.0 Pb1 Pb+2 0 0 0.25 0.35 0.0 O1 O-2 0.5428 0 0.25 1 0.0 La1 La+3 0 0 0.25 0.65 0.0