#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343779.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_4343779 loop_ _publ_author_name 'Hodgson, D.J.' 'Ibers, J.A.' _publ_section_title ; The crystal and molecular structure of potassium monofluoroxenate(VI), K Xe O3 F ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 326 _journal_page_last 331 _journal_volume 8 _journal_year 1969 _chemical_formula_sum 'F K O3 Xe' _chemical_name_systematic 'K Xe O3 F' _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P -2ac -2n' _symmetry_space_group_name_H-M 'P n 21 a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.374 _cell_length_b 6.811 _cell_length_c 8.185 _cell_volume 411.086 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Hodgson_INOCAJ_1969_1309.cif _cod_data_source_block F1K1O3Xe1 _cod_original_sg_symbol_Hall 'P 2c -2n (-x,z,y)' _cod_original_formula_sum 'F1 K1 O3 Xe1' _cod_database_code 4343779 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z -x+1/2,y+1/2,z+1/2 x+1/2,y,-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 0.045 0.597 0.073 1 0.0 O2 O-2 0.17 0.382 0.329 1 0.0 O1 O-2 0.29 0.254 0.032 1 0.0 Xe1 Xe+6 0.09468 0.25 0.15235 1 0.0 K1 K+1 0.3802 0.7182 0.1465 1 0.0 O3 O-2 0.109 0.011 0.235 1 0.0