#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/90/1509072.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_1509072 loop_ _publ_author_name 'Belin, C.' 'Lacroix-Orio, L.' 'Tillard, M.' _publ_section_title ; Exploration of the lithium aluminum silver system. Crystal and electronic structure analysis of new phases Li6.98 Al4.15 Ag0.87 and Li Al Ag2 ; _journal_name_full 'Solid State Sciences' _journal_page_first 1429 _journal_page_last 1437 _journal_volume 6 _journal_year 2004 _chemical_formula_sum 'Ag0.22 Al1.04 Li1.75' _chemical_name_systematic 'Lithium aluminium silver (0.22/1.04/1.75)' _space_group_IT_number 216 _symmetry_space_group_name_Hall 'F -4 2 3' _symmetry_space_group_name_H-M 'F -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.344 _cell_length_b 6.344 _cell_length_c 6.344 _cell_volume 255.323 _citation_journal_id_ASTM SSSCFJ _[local]_cod_data_source_file silver0-1_31.cif _[local]_cod_data_source_block Ag0.22Al1.04Li1.75 _cod_original_cell_volume 255.3227 _cod_database_code 1509072 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 z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x x,y+1/2,z+1/2 y,-x+1/2,-z+1/2 -x,-y+1/2,z+1/2 -y,x+1/2,-z+1/2 x,-y+1/2,-z+1/2 -y,-x+1/2,z+1/2 -x,y+1/2,-z+1/2 y,x+1/2,z+1/2 z,x+1/2,y+1/2 x,-z+1/2,-y+1/2 -z,-x+1/2,y+1/2 -x,z+1/2,-y+1/2 z,-x+1/2,-y+1/2 -x,-z+1/2,y+1/2 -z,x+1/2,-y+1/2 x,z+1/2,y+1/2 y,z+1/2,x+1/2 y,-z+1/2,-x+1/2 -z,-y+1/2,x+1/2 -y,z+1/2,-x+1/2 z,y+1/2,x+1/2 -y,-z+1/2,x+1/2 -z,y+1/2,-x+1/2 z,-y+1/2,-x+1/2 x+1/2,y,z+1/2 y+1/2,-x,-z+1/2 -x+1/2,-y,z+1/2 -y+1/2,x,-z+1/2 x+1/2,-y,-z+1/2 -y+1/2,-x,z+1/2 -x+1/2,y,-z+1/2 y+1/2,x,z+1/2 z+1/2,x,y+1/2 x+1/2,-z,-y+1/2 -z+1/2,-x,y+1/2 -x+1/2,z,-y+1/2 z+1/2,-x,-y+1/2 -x+1/2,-z,y+1/2 -z+1/2,x,-y+1/2 x+1/2,z,y+1/2 y+1/2,z,x+1/2 y+1/2,-z,-x+1/2 -z+1/2,-y,x+1/2 -y+1/2,z,-x+1/2 z+1/2,y,x+1/2 -y+1/2,-z,x+1/2 -z+1/2,y,-x+1/2 z+1/2,-y,-x+1/2 x+1/2,y+1/2,z y+1/2,-x+1/2,-z -x+1/2,-y+1/2,z -y+1/2,x+1/2,-z x+1/2,-y+1/2,-z -y+1/2,-x+1/2,z -x+1/2,y+1/2,-z y+1/2,x+1/2,z z+1/2,x+1/2,y x+1/2,-z+1/2,-y -z+1/2,-x+1/2,y -x+1/2,z+1/2,-y z+1/2,-x+1/2,-y -x+1/2,-z+1/2,y -z+1/2,x+1/2,-y x+1/2,z+1/2,y y+1/2,z+1/2,x y+1/2,-z+1/2,-x -z+1/2,-y+1/2,x -y+1/2,z+1/2,-x z+1/2,y+1/2,x -y+1/2,-z+1/2,x -z+1/2,y+1/2,-x z+1/2,-y+1/2,-x loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li2 Li 0.5 0 0 0.96 Al2 Al 0.5 0 0 0.04 Li1 Li 0 0 0 0.783 Ag1 Ag 0 0 0 0.218 Al1 Al 0.25 0.25 0.25 1 _journal_paper_doi 10.1016/j.solidstatesciences.2004.07.011