#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/05/1510543.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_1510543 loop_ _publ_author_name 'Schubert, K.' 'Stolz, E.' _publ_section_title ; Strukturuntersuchungen in einigen T(4)-B(1) homologen und quasihomologen Systemen ; _journal_name_full 'Zeitschrift fuer Metallkunde' _journal_page_first 433 _journal_page_last 555 _journal_volume 53 _journal_year 1962 _chemical_formula_sum 'Au4 Zr' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.006 _cell_length_b 4.445 _cell_length_c 14.294 _cell_volume 318.065 _citation_journal_id_ASTM ZEMTAE _cod_data_source_file gold_646.cif _cod_data_source_block Au4Zr1 _cod_original_cell_volume 318.0654 _cod_original_formula_sum 'Au4 Zr1' _cod_database_code 1510543 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-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 Au3 Au 0.167 0.25 0.6 1 0.0 Au1 Au 0.167 0.25 0 1 0.0 Au2 Au 0.167 0.25 0.2 1 0.0 Zr1 Zr 0.667 0.25 0.4 1 0.0 Au4 Au 0.667 0.25 0.8 1 0.0