#------------------------------------------------------------------------------ #$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176768 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/53/2105390.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2105390 loop_ _publ_author_name 'Sheldrick, G.M.' 'Jones, P.G.' 'Schwarzmann, E.' 'Rumpel, H.' _publ_section_title ; Gold(III) oxide ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1435 _journal_page_last 1437 _journal_paper_doi 10.1107/S0567740879006622 _journal_volume 35 _journal_year 1979 _chemical_formula_sum 'Au2 O3' _chemical_name_systematic 'Au2 O3' _space_group_IT_number 43 _symmetry_space_group_name_Hall 'F 2 -2d' _symmetry_space_group_name_H-M 'F d d 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 12.827 _cell_length_b 10.52 _cell_length_c 3.838 _cell_volume 517.900 _citation_journal_id_ASTM ACBCAR _cod_data_source_file gold_545.cif _cod_data_source_block Au2O3 _cod_original_cell_volume 517.8999 _cod_database_code 2105390 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x+1/4,y+1/4,z+1/4 x+3/4,-y+3/4,z+1/4 x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 -x+1/4,y+3/4,z+3/4 x+3/4,-y+5/4,z+3/4 x+1/2,y,z+1/2 -x+1/2,-y,z+1/2 -x+3/4,y+1/4,z+3/4 x+5/4,-y+3/4,z+3/4 x+1/2,y+1/2,z -x+1/2,-y+1/2,z -x+3/4,y+3/4,z+1/4 x+5/4,-y+5/4,z+1/4 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 O2 O-2 0 0 0.8107 1 0.0 O1 O-2 0.0825 0.2334 0.6232 1 0.0 Au1 Au+3 -0.0458 0.1329 0.5 1 0.0