#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343704.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_4343704 loop_ _publ_author_name 'Bartlett, N.' 'Gennis, M.' 'Gibler, D.D.' 'Morrell, B.K.' 'Zalkin, A.' _publ_section_title ; Crystal structures of (Xe F(+)) (Ru F6(-)) and (Xe F5(+)) (Ru F6(-)) ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1717 _journal_page_last 1721 _journal_volume 12 _journal_year 1973 _chemical_formula_sum 'F11 Ru Xe' _chemical_name_systematic '(Xe F5) (Ru F6)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 16.771 _cell_length_b 8.206 _cell_length_c 5.617 _cell_volume 773.027 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Bartlett_INOCAJ_1973_1069.cif _cod_data_source_block F11Ru1Xe1 _cod_original_cell_volume 773.0275 _cod_original_formula_sum 'F11 Ru1 Xe1' _cod_database_code 4343704 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 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 F6 F-1 0.3457 0.0939 0.464 1 0.0 F2 F-1 0.488 0.25 0.511 1 0.0 Xe1 Xe+6 0.34978 0.25 0.7009 1 0.0 F3 F-1 0.5921 0.25 -0.069 1 0.0 Ru1 Ru+5 0.54318 0.25 0.2205 1 0.0 F7 F-1 0.3128 0.0955 0.911 1 0.0 F4 F-1 0.6392 0.25 0.374 1 0.0 F8 F-1 0.2456 0.25 0.629 1 0.0 F1 F-1 0.5417 0.4754 0.227 1 0.0 F5 F-1 0.4443 0.25 0.068 1 0.0