The material described by KPF6 crystallizes in the cubic Pa-3 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra and edges with six equivalent P(1)F6 octahedra. P(1) is bonded to six equivalent F(1) atoms to form PF6 octahedra that share edges with six equivalent K(1)F12 cuboctahedra. F(1) is bonded in a single-bond geometry to two equivalent K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_KPF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   7.536
_cell_length_c   7.536
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.915
_cell_formula_units_Z   4
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  0.500  0.000  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.500  0.500  0.000  1.0
  P  P7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.631  0.155  0.571  1.0
  F  F9  1  0.131  0.345  0.429  1.0
  F  F10  1  0.369  0.655  0.929  1.0
  F  F11  1  0.345  0.429  0.131  1.0
  F  F12  1  0.929  0.369  0.655  1.0
  F  F13  1  0.429  0.131  0.345  1.0
  F  F14  1  0.155  0.571  0.631  1.0
  F  F15  1  0.571  0.631  0.155  1.0
  F  F16  1  0.131  0.155  0.929  1.0
  F  F17  1  0.929  0.131  0.155  1.0
  F  F18  1  0.155  0.929  0.131  1.0
  F  F19  1  0.345  0.071  0.631  1.0
  F  F20  1  0.429  0.369  0.845  1.0
  F  F21  1  0.845  0.429  0.369  1.0
  F  F22  1  0.571  0.869  0.655  1.0
  F  F23  1  0.071  0.631  0.345  1.0
  F  F24  1  0.655  0.571  0.869  1.0
  F  F25  1  0.631  0.345  0.071  1.0
  F  F26  1  0.869  0.655  0.571  1.0
  F  F27  1  0.369  0.845  0.429  1.0
  F  F28  1  0.869  0.845  0.071  1.0
  F  F29  1  0.071  0.869  0.845  1.0
  F  F30  1  0.845  0.071  0.869  1.0
  F  F31  1  0.655  0.929  0.369  1.0
[/CIF]
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The material described by KPF6 crystallizes in the cubic Pa-3 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra and edges with six equivalent P(1)F6 octahedra. P(1) is bonded to six equivalent F(1) atoms to form PF6 octahedra that share edges with six equivalent K(1)F12 cuboctahedra. F(1) is bonded in a single-bond geometry to two equivalent K(1) and one P(1) atom. is represented by the CIF file [CIF]
data_KPF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   7.536
_cell_length_c   7.536
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   427.915
_cell_formula_units_Z   4
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  0.500  0.000  1.0
  K  K2  1  0.000  0.000  0.500  1.0
  K  K3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.500  0.500  0.000  1.0
  P  P7  1  0.000  0.500  0.500  1.0
  F  F8  1  0.631  0.155  0.571  1.0
  F  F9  1  0.131  0.345  0.429  1.0
  F  F10  1  0.369  0.655  0.929  1.0
  F  F11  1  0.345  0.429  0.131  1.0
  F  F12  1  0.929  0.369  0.655  1.0
  F  F13  1  0.429  0.131  0.345  1.0
  F  F14  1  0.155  0.571  0.631  1.0
  F  F15  1  0.571  0.631  0.155  1.0
  F  F16  1  0.131  0.155  0.929  1.0
  F  F17  1  0.929  0.131  0.155  1.0
  F  F18  1  0.155  0.929  0.131  1.0
  F  F19  1  0.345  0.071  0.631  1.0
  F  F20  1  0.429  0.369  0.845  1.0
  F  F21  1  0.845  0.429  0.369  1.0
  F  F22  1  0.571  0.869  0.655  1.0
  F  F23  1  0.071  0.631  0.345  1.0
  F  F24  1  0.655  0.571  0.869  1.0
  F  F25  1  0.631  0.345  0.071  1.0
  F  F26  1  0.869  0.655  0.571  1.0
  F  F27  1  0.369  0.845  0.429  1.0
  F  F28  1  0.869  0.845  0.071  1.0
  F  F29  1  0.071  0.869  0.845  1.0
  F  F30  1  0.845  0.071  0.869  1.0
  F  F31  1  0.655  0.929  0.369  1.0
[/CIF]
.