The compound described by KPF6 crystallizes in the trigonal R-3 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with six equivalent P(1)F6 octahedra, edges with six equivalent K(1)F12 cuboctahedra, and faces with two equivalent P(1)F6 octahedra. The corner-sharing octahedral tilt angles are 32°. P(1) is bonded to six equivalent F(1) atoms to form PF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with two 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 card [CIF]
data_KPF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.723
_cell_length_b   4.723
_cell_length_c   4.723
_cell_angle_alpha   97.801
_cell_angle_beta   97.801
_cell_angle_gamma   97.801
_symmetry_Int_Tables_number   1
_cell_volume   102.145
_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  0.500  0.500  1.0
  P  P1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.782  0.077  0.736  1.0
  F  F3  1  0.077  0.736  0.782  1.0
  F  F4  1  0.264  0.218  0.923  1.0
  F  F5  1  0.923  0.264  0.218  1.0
  F  F6  1  0.218  0.923  0.264  1.0
  F  F7  1  0.736  0.782  0.077  1.0
[/CIF]
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The compound described by KPF6 crystallizes in the trigonal R-3 space group. K(1) is bonded to twelve equivalent F(1) atoms to form KF12 cuboctahedra that share corners with six equivalent P(1)F6 octahedra, edges with six equivalent K(1)F12 cuboctahedra, and faces with two equivalent P(1)F6 octahedra. The corner-sharing octahedral tilt angles are 32°. P(1) is bonded to six equivalent F(1) atoms to form PF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with two 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 card [CIF]
data_KPF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.723
_cell_length_b   4.723
_cell_length_c   4.723
_cell_angle_alpha   97.801
_cell_angle_beta   97.801
_cell_angle_gamma   97.801
_symmetry_Int_Tables_number   1
_cell_volume   102.145
_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  0.500  0.500  1.0
  P  P1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.782  0.077  0.736  1.0
  F  F3  1  0.077  0.736  0.782  1.0
  F  F4  1  0.264  0.218  0.923  1.0
  F  F5  1  0.923  0.264  0.218  1.0
  F  F6  1  0.218  0.923  0.264  1.0
  F  F7  1  0.736  0.782  0.077  1.0
[/CIF]
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