#------------------------------------------------------------------------------ #$Date: 2015-07-10 12:09:55 +0300 (Fri, 10 Jul 2015) $ #$Revision: 141564 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521355.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_1521355 loop_ _publ_author_name 'Kahlenberg, V.' _publ_section_title ; Sr3 (Al0.36 Ga0.64)2 O6 - a new strontium aluminium gallate ; _journal_name_full 'Crystal Research and Technology' _journal_page_first 1279 _journal_page_last 1287 _journal_volume 35 _journal_year 2000 _chemical_formula_sum 'Al0.72 Ga1.28 O6 Sr3' _chemical_name_systematic 'Sr3 ((Al0.36 Ga0.64)2 O6)' _space_group_IT_number 205 _symmetry_space_group_name_Hall '-P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 24 _cell_length_a 16.0195 _cell_length_b 16.0195 _cell_length_c 16.0195 _cell_volume 4110.994 _citation_journal_id_ASTM CRTEDF _cod_data_source_file Kahlenberg_CRTEDF_2000_1066.cif _cod_data_source_block Al0.72Ga1.28O6Sr3 _cod_original_cell_volume 4110.995 _cod_database_code 1521355 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z -x,y+1/2,-z+1/2 z,x,y -z+1/2,-x,y+1/2 z+1/2,-x+1/2,-y -z,x+1/2,-y+1/2 y,z,x y+1/2,-z+1/2,-x -y,z+1/2,-x+1/2 -y+1/2,-z,x+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z x,-y-1/2,z-1/2 -z,-x,-y z-1/2,x,-y-1/2 -z-1/2,x-1/2,y z,-x-1/2,y-1/2 -y,-z,-x -y-1/2,z-1/2,x y,-z-1/2,x-1/2 y-1/2,z,-x-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 Ga2 Ga+3 0.2412 0.2359 0.0037 0.64 0.0 O2 O-2 0.4878 0.1291 0.2446 1 0.0 Sr4 Sr+2 0.3763 0.3763 0.3763 1 0.0 Sr3 Sr+2 0.2534 0.2534 0.2534 1 0.0 Ga1 Ga+3 0.2522 0.0135 0.0178 0.64 0.0 Sr5 Sr+2 0.1347 0.3732 0.1292 1 0.0 Al1 Al+3 0.2522 0.0135 0.0178 0.36 0.0 O1 O-2 0.2676 0.1249 0.0024 1 0.0 Al2 Al+3 0.2412 0.2359 0.0037 0.36 0.0 O3 O-2 0.2688 0.2792 0.1024 1 0.0 O4 O-2 0.2338 0.4044 0.2832 1 0.0 Sr2 Sr+2 0.5 0 0 1 0.0 O6 O-2 0.1514 -0.0158 -0.0196 1 0.0 Sr6 Sr+2 0.3789 0.386 0.1247 1 0.0 O5 O-2 0.3487 -0.029 -0.0206 1 0.0 Sr1 Sr+2 0 0 0 1 0.0