#------------------------------------------------------------------------------ #$Date: 2013-05-01 17:05:58 +0300 (Wed, 01 May 2013) $ #$Revision: 83648 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/94/7209412.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_7209412 loop_ _publ_author_name 'Jones, P.G.' 'Sheldrick, G.M.' 'Vielmaeder, A.' 'Schwarzmann, E.' _publ_section_title ; Darstellung und Kristallstruktur von Di-gold(III)bis(selenit)oxid, Au2 (Se O3)2 O ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 10 _journal_page_last 11 _journal_volume 38 _journal_year 1983 _chemical_formula_sum 'Au2 O7 Se2' _chemical_name_systematic 'Au2 (Se O3)2 O' _space_group_IT_number 32 _symmetry_space_group_name_Hall 'P 2 -2ab' _symmetry_space_group_name_H-M 'P b a 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.592 _cell_length_b 11.837 _cell_length_c 3.998 _cell_volume 311.962 _citation_journal_id_ASTM ZNBAD2 _[local]_cod_data_source_file gold_547.cif _[local]_cod_data_source_block Au2O7Se2 _cod_original_cell_volume 311.9619 _cod_database_code 7209412 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x+1/2,y+1/2,z x+1/2,-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 Au1 Au+3 0.2005 0.068 0.5 1 0.0 O2 O-2 0.0585 0.2144 0.4385 1 0.0 Se1 Se+4 0.1341 0.3268 0.2597 1 0.0 O4 O-2 0 0 0.849 1 0.0 O1 O-2 0.3367 -0.0869 0.5615 1 0.0 O3 O-2 0.3988 0.1329 0.151 1 0.0