The compound described by KH3F4 crystallizes in the trigonal R-3c space group. K(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. 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 single-bond geometry to two equivalent K(1) and one H(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent K(1) and three equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KH3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.730
_cell_length_c   5.730
_cell_angle_alpha   80.486
_cell_angle_beta   80.486
_cell_angle_gamma   80.486
_symmetry_Int_Tables_number   1
_cell_volume   181.123
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.940  0.750  0.560  1.0
  H  H3  1  0.750  0.560  0.940  1.0
  H  H4  1  0.250  0.440  0.060  1.0
  H  H5  1  0.440  0.060  0.250  1.0
  H  H6  1  0.560  0.940  0.750  1.0
  H  H7  1  0.060  0.250  0.440  1.0
  F  F8  1  0.250  0.573  0.927  1.0
  F  F9  1  0.427  0.073  0.750  1.0
  F  F10  1  0.750  0.427  0.073  1.0
  F  F11  1  0.073  0.750  0.427  1.0
  F  F12  1  0.750  0.750  0.750  1.0
  F  F13  1  0.250  0.250  0.250  1.0
  F  F14  1  0.927  0.250  0.573  1.0
  F  F15  1  0.573  0.927  0.250  1.0
[/CIF]
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The compound described by KH3F4 crystallizes in the trigonal R-3c space group. K(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. 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 single-bond geometry to two equivalent K(1) and one H(1) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent K(1) and three equivalent H(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KH3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.730
_cell_length_c   5.730
_cell_angle_alpha   80.486
_cell_angle_beta   80.486
_cell_angle_gamma   80.486
_symmetry_Int_Tables_number   1
_cell_volume   181.123
_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  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.940  0.750  0.560  1.0
  H  H3  1  0.750  0.560  0.940  1.0
  H  H4  1  0.250  0.440  0.060  1.0
  H  H5  1  0.440  0.060  0.250  1.0
  H  H6  1  0.560  0.940  0.750  1.0
  H  H7  1  0.060  0.250  0.440  1.0
  F  F8  1  0.250  0.573  0.927  1.0
  F  F9  1  0.427  0.073  0.750  1.0
  F  F10  1  0.750  0.427  0.073  1.0
  F  F11  1  0.073  0.750  0.427  1.0
  F  F12  1  0.750  0.750  0.750  1.0
  F  F13  1  0.250  0.250  0.250  1.0
  F  F14  1  0.927  0.250  0.573  1.0
  F  F15  1  0.573  0.927  0.250  1.0
[/CIF]
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