#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343703.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_4343703 loop_ _publ_author_name 'Bartlett, N.' 'Gennis, M.' 'Gibler, D.D.' 'Morrell, B.K.' 'Zalkin, A.' _publ_section_title ; Crystal Structures of (XeF(+)) (RuF6(-)) and (XeF5(+)) (Ru F6(-)) ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1717 _journal_page_last 1721 _journal_volume 12 _journal_year 1973 _chemical_formula_sum 'F7 Ru Xe' _chemical_name_systematic '(Xe F) (Ru F6)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 90.68 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.991 _cell_length_b 11.086 _cell_length_c 7.25 _cell_volume 642.219 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Bartlett_INOCAJ_1973_1062.cif _cod_data_source_block F7Ru1Xe1 _cod_original_cell_volume 642.2194 _cod_original_sg_symbol_Hall '-P 2ybc (x-z,y,z)' _cod_chemical_formula_sum_orig 'F7 Ru1 Xe1' _cod_database_code 4343703 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z+1/2 -x,-y,-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 F1 F-1 0.1952 0.3329 0.1503 1 0.0 F4 F-1 0.4175 -0.0683 0.7697 1 0.0 F6 F-1 0.1025 -0.0768 0.6919 1 0.0 F7 F-1 0.391 0.1529 0.8676 1 0.0 F2 F-1 0.3118 0.0787 0.5232 1 0.0 Xe1 Xe+2 0.2432 0.216 0.3294 1 0.0 Ru1 Ru+5 0.2493 0.0358 0.7785 1 0.0 F5 F-1 0.0855 0.1457 0.7677 1 0.0 F3 F-1 0.1905 -0.0049 0.0059 1 0.0