#------------------------------------------------------------------------------ #$Date: 2013-04-20 00:03:48 +0300 (Sat, 20 Apr 2013) $ #$Revision: 81982 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/02/78/4027801.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_4027801 loop_ _publ_author_name 'Bartlett, N.' 'Hagiwara, R.' 'Hollander, F.' 'Maines, C.' _publ_section_title ; The crystal structure of (Ag(XeF2)2)AsF6 formed in the oxidation of Xe by AgFAsF6 ; _journal_name_full 'European Journal of Solid State Inorganic Chemistry' _journal_page_first 855 _journal_page_last 866 _journal_volume 28 _journal_year 1991 _chemical_formula_sum 'Ag As F10 Xe2' _chemical_name_systematic '(Ag (Xe F2)2) (As F6)' _space_group_IT_number 120 _symmetry_space_group_name_Hall 'I -4 -2c' _symmetry_space_group_name_H-M 'I -4 c 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.4558 _cell_length_b 8.4558 _cell_length_c 12.8645 _cell_volume 919.819 _citation_journal_id_ASTM EJSCE5 _[local]_cod_data_source_file silver1-2_20.cif _[local]_cod_data_source_block Ag1As1F10Xe2 _[local]_cod_chemical_formula_sum_orig 'Ag1 As1 F10 Xe2' _cod_original_cell_volume 919.8189 _cod_database_code 4027801 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z -x,y,z+1/2 y,x,-z+1/2 x,-y,z+1/2 -y,-x,-z+1/2 x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1 y+1/2,x+1/2,-z+1 x+1/2,-y+1/2,z+1 -y+1/2,-x+1/2,-z+1 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 F2 F-1 0.0779 0.6866 0.2438 1 0.0 F1 F-1 0 0.5 0.3836 1 0.0 As1 As+5 0 0.5 0.25 1 0.0 Ag1 Ag+1 0.5 0.5 0.25 1 0.0 Xe1 Xe+2 0.2501 0.7501 0.5 1 0.0 F3 F-1 0.1131 0.8765 0.5631 1 0.0