#------------------------------------------------------------------------------ #$Date: 2015-09-06 16:02:13 +0300 (Sun, 06 Sep 2015) $ #$Revision: 154821 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529909.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_1529909 loop_ _publ_author_name 'England, W.A.' 'Jacobson, A.J.' 'Tofield, B.C.' _publ_section_title ; Structural studies of highly non-stoichiometric polycrystalline sodium and silver beta-aluminas ; _journal_name_full 'Solid State Ionics' _journal_page_first 21 _journal_page_last 27 _journal_volume 6 _journal_year 1982 _chemical_formula_sum 'Ag3 Al22 O34' _chemical_name_systematic 'Ag3 Al22 O34' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 5.606 _cell_length_b 5.606 _cell_length_c 22.446 _cell_volume 610.908 _citation_journal_id_ASTM SSIOD3 _cod_data_source_file England_SSIOD3_1982_919.cif _cod_data_source_block Ag3Al22O34 _cod_original_cell_volume 610.9079 _cod_database_code 1529909 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -y,-x,-z+1/2 x-y,-y,-z x,x-y,-z+1/2 y,x,-z -x+y,y,-z+1/2 -x,-x+y,-z -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,x-y,-z-1/2 y,x,z-1/2 -x+y,y,z -x,-x+y,z-1/2 -y,-x,z x-y,-y,z-1/2 x,x-y,z 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 Al4 Al+3 0 0 0 1 0.0 Al2 Al+3 0.3333 0.6667 0.024 1 0.0 O2 O-2 0.5052 0.0104 0.1477 1 0.0 O1 O-2 0.1571 0.3142 0.0502 1 0.0 Ag1 Ag+1 0.717 0.434 0.25 0.3333 0.0 O5 O-2 0.2808 0.5616 0.25 0.3333 0.0 O3 O-2 0.6667 0.3333 0.0576 1 0.0 O4 O-2 0 0 0.144 1 0.0 Al3 Al+3 0.3333 0.6667 0.1739 1 0.0 Ag2 Ag+1 0.9576 0.9152 0.25 0.1667 0.0 Al1 Al+3 0.8324 0.6648 0.1066 1 0.0