#------------------------------------------------------------------------------ #$Date: 2015-07-12 20:51:57 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148016 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/67/1526773.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_1526773 loop_ _publ_author_name 'Kubota, M.' 'Fujioka, H.' 'Hirota, K.' 'Ohoyama, K.' 'Moritomo, Y.' 'Yoshizawa, H.' 'Endoh, Y.' _publ_section_title ; Relation between crystal and magnetic structures of layered manganite La2-2x Sr1+2x Mn2 O7 (0.30 < x < 0.50) ; _journal_name_full 'Journal of the Physical Society of Japan' _journal_page_first 1606 _journal_page_last 1609 _journal_volume 69 _journal_year 2000 _chemical_formula_sum 'La1.3 Mn2 O7 Sr1.7' _chemical_name_systematic '(La1.3 Sr1.7) (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 3.8652 _cell_length_b 3.8652 _cell_length_c 20.177 _cell_volume 301.440 _citation_journal_id_ASTM JUPSAU _cod_data_source_file Kubota_JUPSAU_2000_142.cif _cod_data_source_block La1.3Mn2O7Sr1.7 _cod_original_cell_volume 301.4398 _cod_database_code 1526773 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 Sr2 Sr+2 0 0 0.3174 0.567 0.0 O3 O-2 0 0.5 0.0946 1 0.0 La2 La+3 0 0 0.3174 0.433 0.0 O2 O-2 0 0 0.197 1 0.0 O1 O-2 0 0 0 1 0.0 Sr1 Sr+2 0 0 0.5 0.567 0.0 La1 La+3 0 0 0.5 0.433 0.0 Mn1 Mn+3 0 0 0.097 1 0.0