#------------------------------------------------------------------------------ #$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $ #$Revision: 120071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/51/06/1510611.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_1510611 loop_ _publ_author_name 'Platte, C.' 'Benkic, P.' 'Richardson, T.J.' 'Bartlett, N.' 'Dove, M.F.A.' _publ_section_title ; Concerning the crystal structure of Br F3 * Au F3 ; _journal_name_full 'Journal of Fluorine Chemistry' _journal_page_first 83 _journal_page_last 86 _journal_volume 110 _journal_year 2001 _chemical_formula_sum 'Au Br F6' _chemical_name_systematic '(Br F3) (Au F3)' _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90 _cell_angle_beta 101.39 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.356 _cell_length_b 5.766 _cell_length_c 8.649 _cell_volume 261.844 _citation_journal_id_ASTM JFLCAR _[local]_cod_data_source_file gold_92.cif _[local]_cod_data_source_block Au1Br1F6 _[local]_cod_chemical_formula_sum_orig 'Au1 Br1 F6' _cod_database_code 1510611 loop_ _symmetry_equiv_pos_as_xyz x,y,z -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 F3 F-1 0.353 0.061 0.293 1 0.0 F6 F-1 0.807 0.902 0.424 1 0.0 F5 F-1 0.724 0.46 0.377 1 0.0 F2 F-1 0.291 0.014 0.954 1 0.0 F1 F-1 0.182 0.428 0.922 1 0.0 Br1 Br+3 0.453 0.248 0.6721 1 0.0 Au1 Au+3 0.2596 0.25 0.0917 1 0.0 F4 F-1 0.228 0.547 0.228 1 0.0 _journal_paper_doi 10.1016/S0022-1139(01)00414-6