#------------------------------------------------------------------------------ #$Date: 2013-05-01 16:43:16 +0300 (Wed, 01 May 2013) $ #$Revision: 83479 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/03/1510315.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_1510315 loop_ _publ_author_name 'Damsma, H.' 'Hokkeling, P.' 'Havinga, E.E.' _publ_section_title ; Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 169 _journal_page_last 186 _journal_volume 27 _journal_year 1972 _chemical_formula_sum 'Au Tl2' _chemical_name_systematic 'Au Tl2' _space_group_IT_number 140 _symmetry_space_group_name_Hall '-I 4 2c' _symmetry_space_group_name_H-M 'I 4/m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.26 _cell_length_b 7.26 _cell_length_c 5.6 _cell_volume 295.163 _citation_journal_id_ASTM JCOMAH _[local]_cod_data_source_file gold_384.cif _[local]_cod_data_source_block Au1Tl2 _[local]_cod_chemical_formula_sum_orig 'Au1 Tl2' _cod_original_cell_volume 295.1626 _cod_database_code 1510315 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z+1/2 y,x,-z+1/2 -x,y,-z+1/2 -y,-x,-z+1/2 -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z-1/2 -y,-x,z-1/2 x,-y,z-1/2 y,x,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 y+1/2,x+1/2,-z+1 -x+1/2,y+1/2,-z+1 -y+1/2,-x+1/2,-z+1 -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 -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+1/2,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 Au1 Au 0 0 0.25 1 0.0 Tl1 Tl 0.16 0.66 0 1 0.0