#------------------------------------------------------------------------------ #$Date: 2015-07-07 16:04:28 +0300 (Tue, 07 Jul 2015) $ #$Revision: 140823 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/11/1521156.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_1521156 loop_ _publ_author_name 'Hibble, S.J.' 'Cooper, S.P.' 'Fawcett, I.D.' 'Hannon, A.C.' 'Greenblatt, M.' _publ_section_title ; Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction ; _journal_name_full 'Journal of Physics: Condensed Matter' _journal_page_first 9221 _journal_page_last 9238 _journal_volume 11 _journal_year 1999 _chemical_formula_sum 'La0.7 Mn O3 Sr0.3' _chemical_name_systematic '(La0.7 Sr0.3) (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 5.503 _cell_length_b 5.503 _cell_length_c 13.34241 _cell_volume 349.916 _citation_journal_id_ASTM JCOMEL _cod_data_source_file Hibble_JCOMEL_1999_111.cif _cod_data_source_block La0.7Mn1O3Sr0.3 _cod_original_cell_volume 349.9161 _cod_chemical_formula_sum_orig 'La0.7 Mn1 O3 Sr0.3' _cod_database_code 1521156 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 O1 O-2 0.4577 0 0.25 1 0.0 Mn1 Mn+3 0 0 0 1 0.0 La1 La+3 0 0 0.25 0.7 0.0 Sr1 Sr+2 0 0 0.25 0.3 0.0