data_1010380 _chemical_name_systematic 'Potassium hydrogendifluoride' _chemical_formula_structural 'K H F2' _chemical_formula_sum 'H F2 K' _publ_section_title ; A Redetermination of the Fluorine - Fluorine Distance in Potassium Bifluoride ; loop_ _publ_author_name 'Helmholz, L' 'Rogers, M T' _journal_name_full 'Journal of the American Chemical Society' _journal_coden_ASTM JACSAT _journal_volume 61 _journal_year 1939 _journal_page_first 2590 _journal_page_last 2592 _cell_length_a 5.67 _cell_length_b 5.67 _cell_length_c 6.81 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 218.9 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'I 4/m c m' _symmetry_Int_Tables_number 140 _symmetry_cell_setting tetragonal loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' 'x,-y,1/2+z' '-x,y,1/2+z' '-y,x,z' 'y,-x,z' 'y,x,1/2+z' '-y,-x,1/2+z' '-x,-y,-z' 'x,y,-z' '-x,y,1/2-z' 'x,-y,1/2-z' 'y,-x,-z' '-y,x,-z' '-y,-x,1/2-z' 'y,x,1/2-z' '1/2+x,1/2+y,1/2+z' '1/2-x,1/2-y,1/2+z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,z' '1/2-y,1/2+x,1/2+z' '1/2+y,1/2-x,1/2+z' '1/2+y,1/2+x,z' '1/2-y,1/2-x,z' '1/2-x,1/2-y,1/2-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2+y,-z' '1/2+x,1/2-y,-z' '1/2+y,1/2-x,1/2-z' '1/2-y,1/2+x,1/2-z' '1/2-y,1/2-x,-z' '1/2+y,1/2+x,-z' loop_ _atom_type_symbol _atom_type_oxidation_number K1+ 1.000 H1+ 1.000 F1- -1.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag K1 K1+ 4 ? -1. -1. -1. 1. 0 dum H1 H1+ 4 d 0. 0.5 0. 1. 0 d F1 F1- 8 h 0.1408(3) 0.6408(3) 0. 1. 0 d