The material described by KHTeOF4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) and one F(3) atom. Te(1) is bonded in a square pyramidal geometry to one O(1), one F(1), one F(2), one F(3), and one F(4) atom. O(1) is bonded in a 1-coordinate geometry to one K(1), one H(1), and one Te(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one K(1) and one Te(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Te(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one H(1), and one Te(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_KTeHOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.938
_cell_length_b   5.041
_cell_length_c   7.905
_cell_angle_alpha   73.533
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.148
_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  0.896  0.630  0.708  1.0
  K  K1  1  0.396  0.370  0.292  1.0
  Te  Te2  1  0.871  0.941  0.181  1.0
  Te  Te3  1  0.371  0.059  0.819  1.0
  H  H4  1  0.391  0.753  0.626  1.0
  H  H5  1  0.891  0.247  0.374  1.0
  O  O6  1  0.347  0.948  0.606  1.0
  O  O7  1  0.847  0.052  0.394  1.0
  F  F8  1  0.650  0.930  0.826  1.0
  F  F9  1  0.289  0.667  0.943  1.0
  F  F10  1  0.453  0.430  0.634  1.0
  F  F11  1  0.953  0.570  0.366  1.0
  F  F12  1  0.588  0.842  0.229  1.0
  F  F13  1  0.150  0.070  0.174  1.0
  F  F14  1  0.088  0.158  0.771  1.0
  F  F15  1  0.789  0.333  0.057  1.0
[/CIF]
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The material described by KHTeOF4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(2), one F(3), and two equivalent F(4) atoms. H(1) is bonded in a single-bond geometry to one O(1) and one F(3) atom. Te(1) is bonded in a square pyramidal geometry to one O(1), one F(1), one F(2), one F(3), and one F(4) atom. O(1) is bonded in a 1-coordinate geometry to one K(1), one H(1), and one Te(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one K(1) and one Te(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Te(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one K(1), one H(1), and one Te(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_KTeHOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.938
_cell_length_b   5.041
_cell_length_c   7.905
_cell_angle_alpha   73.533
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.148
_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  0.896  0.630  0.708  1.0
  K  K1  1  0.396  0.370  0.292  1.0
  Te  Te2  1  0.871  0.941  0.181  1.0
  Te  Te3  1  0.371  0.059  0.819  1.0
  H  H4  1  0.391  0.753  0.626  1.0
  H  H5  1  0.891  0.247  0.374  1.0
  O  O6  1  0.347  0.948  0.606  1.0
  O  O7  1  0.847  0.052  0.394  1.0
  F  F8  1  0.650  0.930  0.826  1.0
  F  F9  1  0.289  0.667  0.943  1.0
  F  F10  1  0.453  0.430  0.634  1.0
  F  F11  1  0.953  0.570  0.366  1.0
  F  F12  1  0.588  0.842  0.229  1.0
  F  F13  1  0.150  0.070  0.174  1.0
  F  F14  1  0.088  0.158  0.771  1.0
  F  F15  1  0.789  0.333  0.057  1.0
[/CIF]
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