#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536843.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_1536843 loop_ _publ_author_name 'Fava, J.' 'le Flem, G.' _publ_section_title ; Les phases Sr La2 Al2 O7 et Sr Gd2 Al2 O7 ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 75 _journal_page_last 80 _journal_volume 10 _journal_year 1975 _chemical_formula_sum 'Al2 La2 O7 Sr' _chemical_name_systematic 'Sr La2 Al2 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 3.7756 _cell_length_b 3.7756 _cell_length_c 20.214 _cell_volume 288.154 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Fava_MRBUAC_1975_28.cif _cod_data_source_block Al2La2O7Sr1 _cod_original_cell_volume 288.1537 _cod_original_formula_sum 'Al2 La2 O7 Sr1' _cod_database_code 1536843 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 0.318 0.3333 0.0 O1 O-2 0 0 0 1 0.0 La2 La+3 0 0 0.5 0.6666 0.0 O2 O-2 0 0.5 0.097 1 0.0 La1 La+3 0 0 0.318 0.6666 0.0 Sr1 Sr+2 0 0 0.5 0.3333 0.0 Al1 Al+3 0 0 0.09 1 0.0 O3 O-2 0 0 0.203 1 0.0