#------------------------------------------------------------------------------ #$Date: 2013-05-01 16:02:14 +0300 (Wed, 01 May 2013) $ #$Revision: 83203 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/00/1510086.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_1510086 loop_ _publ_author_name 'Kotzyba, G.' 'Eschen, M.' 'Jeitschko, W.' 'Kuennen, B.' _publ_section_title ; Semiconducting La2 Au P3, the metallic conductor Ce2 Au P3, and other rare-earth gold phosphides Ln2 Au P3 with two closely related crystal structures ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1699 _journal_page_last 1708 _journal_volume 627 _journal_year 2001 _chemical_formula_sum 'Au Ce2 P3' _chemical_name_systematic 'Ce2 (Au P3)' _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 7.7414 _cell_length_b 4.2111 _cell_length_c 16.123 _cell_volume 525.607 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file gold_129.cif _[local]_cod_data_source_block Au1Ce2P3 _[local]_cod_chemical_formula_sum_orig 'Au1 Ce2 P3' _cod_original_cell_volume 525.6067 _cod_database_code 1510086 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 P2 P-2 0.20256 0.25 0.20088 1 0.0 Ce1 Ce+3 0.09754 0.25 0.79484 1 0.0 P1 P-2 0.03107 0.25 0.09385 1 0.0 Au1 Au+1 0.00988 0.25 0.35088 1 0.0 P3 P-3 0.38424 0.25 0.91088 1 0.0 Ce2 Ce+3 0.23538 0.25 0.5237 1 0.0