The crystal structure described by KH4F5 crystallizes in the tetragonal I4_1/a space group. K(1) is bonded to eight equivalent F(2) atoms to form distorted edge-sharing KF8 hexagonal bipyramids. H(1) is bonded in a linear geometry to one F(1) and one F(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to four equivalent H(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KH4F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.396
_cell_length_c   7.396
_cell_angle_alpha   124.832
_cell_angle_beta   124.832
_cell_angle_gamma   81.816
_symmetry_Int_Tables_number   1
_cell_volume   262.192
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.750  0.250  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.159  0.946  0.608  1.0
  H  H3  1  0.338  0.551  0.392  1.0
  H  H4  1  0.301  0.409  0.713  1.0
  H  H5  1  0.696  0.588  0.287  1.0
  H  H6  1  0.591  0.304  0.892  1.0
  H  H7  1  0.412  0.699  0.108  1.0
  H  H8  1  0.449  0.841  0.787  1.0
  H  H9  1  0.054  0.662  0.213  1.0
  F  F10  1  0.250  0.750  0.500  1.0
  F  F11  1  0.500  0.500  0.000  1.0
  F  F12  1  0.098  0.072  0.684  1.0
  F  F13  1  0.388  0.414  0.316  1.0
  F  F14  1  0.164  0.348  0.525  1.0
  F  F15  1  0.822  0.638  0.475  1.0
  F  F16  1  0.652  0.178  0.816  1.0
  F  F17  1  0.362  0.836  0.184  1.0
  F  F18  1  0.586  0.902  0.975  1.0
  F  F19  1  0.928  0.612  0.025  1.0
[/CIF]
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The crystal structure described by KH4F5 crystallizes in the tetragonal I4_1/a space group. K(1) is bonded to eight equivalent F(2) atoms to form distorted edge-sharing KF8 hexagonal bipyramids. H(1) is bonded in a linear geometry to one F(1) and one F(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to four equivalent H(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KH4F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.396
_cell_length_c   7.396
_cell_angle_alpha   124.832
_cell_angle_beta   124.832
_cell_angle_gamma   81.816
_symmetry_Int_Tables_number   1
_cell_volume   262.192
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.750  0.250  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.159  0.946  0.608  1.0
  H  H3  1  0.338  0.551  0.392  1.0
  H  H4  1  0.301  0.409  0.713  1.0
  H  H5  1  0.696  0.588  0.287  1.0
  H  H6  1  0.591  0.304  0.892  1.0
  H  H7  1  0.412  0.699  0.108  1.0
  H  H8  1  0.449  0.841  0.787  1.0
  H  H9  1  0.054  0.662  0.213  1.0
  F  F10  1  0.250  0.750  0.500  1.0
  F  F11  1  0.500  0.500  0.000  1.0
  F  F12  1  0.098  0.072  0.684  1.0
  F  F13  1  0.388  0.414  0.316  1.0
  F  F14  1  0.164  0.348  0.525  1.0
  F  F15  1  0.822  0.638  0.475  1.0
  F  F16  1  0.652  0.178  0.816  1.0
  F  F17  1  0.362  0.836  0.184  1.0
  F  F18  1  0.586  0.902  0.975  1.0
  F  F19  1  0.928  0.612  0.025  1.0
[/CIF]
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