#------------------------------------------------------------------------------ #$Date: 2015-10-10 14:41:16 +0300 (Sat, 10 Oct 2015) $ #$Revision: 165511 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/73/1537388.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_1537388 loop_ _publ_author_name 'Harrison, R.W.' 'Thompson, R.C.' 'Trotter, J.' _publ_section_title ; The Structure of Potassium Difluorophosphate ; _journal_name_full ; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) ; _journal_page_first 1775 _journal_page_last 1780 _journal_volume 1966 _journal_year 1966 _chemical_formula_sum 'F2 K O2 P' _chemical_name_systematic 'K P O2 F2' _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 8.039 _cell_length_b 6.205 _cell_length_c 7.635 _cell_volume 380.849 _citation_journal_id_ASTM JCSIAP _cod_data_source_file Harrison_JCSIAP_1966_1474.cif _cod_data_source_block F2K1O2P1 _cod_chemical_formula_sum_orig 'F2 K1 O2 P1' _cod_database_code 1537388 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 F2 F-1 -0.0601 0.25 -0.4356 1 0.0 O1 O-2 0.098 0.0443 -0.2184 1 0.0 K1 K+1 0.1486 0.25 0.1444 1 0.0 P1 P+5 0.0917 0.25 -0.3101 1 0.0 F1 F-1 0.2287 0.25 -0.4534 1 0.0