#------------------------------------------------------------------------------ #$Date: 2015-07-11 03:38:25 +0300 (Sat, 11 Jul 2015) $ #$Revision: 144138 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/35/1523521.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_1523521 loop_ _publ_author_name 'Edwards, A.J.' 'Jones, G.R.' _publ_section_title ; Fluoride crystal structures. Part I. Tunqsten oxide tetrafluoride ; _journal_name_full ; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) ; _journal_page_first 2074 _journal_page_last 2078 _journal_volume 1968 _journal_year 1968 _chemical_formula_sum 'F4 O W' _chemical_name_systematic 'W O F4' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 95.4 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 9.65 _cell_length_b 14.42 _cell_length_c 5.15 _cell_volume 713.457 _citation_journal_id_ASTM JCSIAP _cod_data_source_file Edwards_JCSIAP_1968_323.cif _cod_data_source_block F4O1W1 _cod_original_cell_volume 713.4575 _cod_chemical_formula_sum_orig 'F4 O1 W1' _cod_database_code 1523521 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-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 F2 F-1 0.3331 0 0.0782 1 0.0 W1 W+6 0 0.2059 0 1 0.0 F4 F-1 0.1034 0.181 0.3103 1 0.0 F3 F-1 0.3583 0.0863 0.6552 1 0.0 O1 O-2 0.1225 0.0959 0.8715 1 0.0 F1 F-1 0.1355 0 0.4419 1 0.0 F5 F-1 0.1119 0.2803 0.8919 1 0.0 W2 W+6 0.2632 0 0.7351 1 0.0