#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526293.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_1526293 loop_ _publ_author_name 'He, L.-H.' 'Zhang, P.-L.' 'Yan, Q.-W.' _publ_section_title ; The structure and magnetic properties of La2-2x Sr Ca2x Mn2 O7 (x =0.25-1.00) ; _journal_name_full 'Chinese Physics' _journal_page_first 857 _journal_page_last 861 _journal_volume 10 _journal_year 2001 _chemical_formula_sum 'Ca0.6 La1.4 Mn2 O7 Sr' _chemical_name_systematic '(La1.4 Sr Ca0.6) Mn2 O7' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.86248 _cell_length_b 3.86248 _cell_length_c 19.9242 _cell_volume 297.244 _citation_journal_id_ASTM CHPHF4 _cod_data_source_file He_CHPHF4_2001_1035.cif _cod_data_source_block Ca0.6La1.4Mn2O7Sr1 _cod_original_cell_volume 297.2442 _cod_original_formula_sum 'Ca0.6 La1.4 Mn2 O7 Sr1' _cod_database_code 1526293 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 O3 O-2 0 0.5 0.098 1 0.0 Ca1 Ca+2 0 0 0.5 0.131 0.0 Mn1 Mn+3 0 0 0.09821 1 0.0 Sr2 Sr+2 0 0 0.312 0.391 0.0 Sr1 Sr+2 0 0 0.5 0.217 0.0 O1 O-2 0 0 0 1 0.0 La2 La+3 0 0 0.312 0.374 0.0 O2 O-2 0 0 0.2016 1 0.0 La1 La+3 0 0 0.5 0.652 0.0 Ca2 Ca+2 0 0 0.312 0.235 0.0