#------------------------------------------------------------------------------ #$Date: 2016-03-26 18:22:28 +0200 (Sat, 26 Mar 2016) $ #$Revision: 180425 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/94/7209411.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_7209411 loop_ _publ_author_name 'Schwarzmann, E.' 'Sheldrick, G.M.' 'Jones, P.G.' 'Timpe, H.' _publ_section_title ; Preparation and crystal structure of di-gold(III)bis(selenite)(diselenite), Au2 (Se O3)2 (Se2 O5) ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) ; _journal_page_first 1050 _journal_page_last 1051 _journal_volume 36 _journal_year 1981 _chemical_formula_sum 'Au2 O11 Se4' _chemical_name_systematic 'Au2 (Se O3)2 (Se2 O5)1' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 115.88 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 20.344 _cell_length_b 4.13 _cell_length_c 13.254 _cell_volume 1001.927 _citation_journal_id_ASTM ZNBAD2 _cod_data_source_file gold_544.cif _cod_data_source_block Au2O11Se4 _cod_database_code 7209411 loop_ _symmetry_equiv_pos_as_xyz 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 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 Au2 Au+3 0.25 0.25 0 1 0.0 O5 O-2 0.1301 -0.0432 0.2574 1 0.0 O1 O-2 0.0976 -0.0046 0.0011 1 0.0 O2 O-2 0.1778 0.5931 -0.0221 1 0.0 Au1 Au+3 0 0 0 1 0.0 O6 O-2 0 0.0185 0.25 1 0.0 Se2 Se+4 0.0761 0.2547 0.2514 1 0.0 O3 O-2 0.2361 0.0544 0.1284 1 0.0 O4 O-2 0.0344 0.3644 0.1101 1 0.0 Se1 Se+4 0.1686 -0.236 0.0902 1 0.0