#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/01/1510104.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_1510104 loop_ _publ_author_name 'Kathage, H.U.' 'Bronger, W.' _publ_section_title ; Zur Synthese und Kristallstruktur von Alkalimetall-Gold-Chalcogeniden AAuX mit A=Na,K,Rb oder Cs und X = S, Se oder Te ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 87 _journal_page_last 94 _journal_volume 184 _journal_year 1992 _chemical_formula_sum 'Au Cs Se' _chemical_name_systematic 'Cs (Au Se)' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.165 _cell_length_b 8.625 _cell_length_c 6.862 _cell_volume 424.059 _citation_journal_id_ASTM JALCEU _[local]_cod_data_source_file gold_158.cif _[local]_cod_data_source_block Au1Cs1Se1 _[local]_cod_chemical_formula_sum_orig 'Au1 Cs1 Se1' _cod_original_cell_volume 424.0587 _cod_database_code 1510104 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,z-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 Cs1 Cs+1 0 0.3721 0.25 1 0.0 Au1 Au+1 0 0 0 1 0.0 Se1 Se-2 0 0.8036 0.25 1 0.0 _journal_paper_doi 10.1016/0925-8388(92)90457-K