The material structure described by K3PF6 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second K site, K(2) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third K site, K(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. P(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(1) atom. is represented by the CIF file [CIF]
data_K3PF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.778
_cell_length_b   8.239
_cell_length_c   6.689
_cell_angle_alpha   127.838
_cell_angle_beta   78.337
_cell_angle_gamma   109.789
_symmetry_Int_Tables_number   1
_cell_volume   277.603
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  P  P3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.782  0.052  0.268  1.0
  F  F5  1  0.218  0.948  0.732  1.0
  F  F6  1  0.791  0.788  0.717  1.0
  F  F7  1  0.209  0.212  0.283  1.0
  F  F8  1  0.060  0.777  0.997  1.0
  F  F9  1  0.940  0.223  0.003  1.0
[/CIF]
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The material structure described by K3PF6 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second K site, K(2) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third K site, K(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. P(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(1) atom. is represented by the CIF file [CIF]
data_K3PF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.778
_cell_length_b   8.239
_cell_length_c   6.689
_cell_angle_alpha   127.838
_cell_angle_beta   78.337
_cell_angle_gamma   109.789
_symmetry_Int_Tables_number   1
_cell_volume   277.603
_cell_formula_units_Z   1
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  0.000  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  P  P3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.782  0.052  0.268  1.0
  F  F5  1  0.218  0.948  0.732  1.0
  F  F6  1  0.791  0.788  0.717  1.0
  F  F7  1  0.209  0.212  0.283  1.0
  F  F8  1  0.060  0.777  0.997  1.0
  F  F9  1  0.940  0.223  0.003  1.0
[/CIF]
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