#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/33/1523317.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_1523317 loop_ _publ_author_name 'Buechler, H.' 'Range, K.J.' _publ_section_title ; Zur Kenntnis des beta-Mangan-Typs: Hochdrucksynthese und Strukturverfeinerung von Al Au4 ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 347 _journal_page_last 354 _journal_volume 161 _journal_year 1990 _chemical_formula_sum 'Al Au4' _chemical_name_systematic 'Al Au4' _space_group_IT_number 198 _symmetry_space_group_name_Hall 'P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P 21 3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.9227 _cell_length_b 6.9227 _cell_length_c 6.9227 _cell_volume 331.762 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Buechler_JCOMAH_1990_861.cif _cod_data_source_block Al1Au4 _cod_original_cell_volume 331.7619 _cod_original_formula_sum 'Al1 Au4' _cod_database_code 1523317 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 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 Al1 Al 0.6903 0.6903 0.6903 1 0.0 Au2 Au 0.1328 0.2007 0.4625 1 0.0 Au1 Au 0.0673 0.0673 0.0673 1 0.0