The structure described by K2TiF6 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to twelve equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with six equivalent K(1)F12 cuboctahedra, corners with three equivalent Ti(1)F6 octahedra, faces with eight equivalent K(1)F12 cuboctahedra, and faces with three equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles are 18°. Ti(1) is bonded to six equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with six equivalent K(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_K2TiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   4.590
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.478
_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  0.333  0.667  0.698  1.0
  K  K1  1  0.667  0.333  0.302  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.317  0.158  0.772  1.0
  F  F4  1  0.842  0.158  0.772  1.0
  F  F5  1  0.842  0.683  0.772  1.0
  F  F6  1  0.158  0.317  0.228  1.0
  F  F7  1  0.683  0.842  0.228  1.0
  F  F8  1  0.158  0.842  0.228  1.0
[/CIF]
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The structure described by K2TiF6 crystallizes in the trigonal P-3m1 space group. K(1) is bonded to twelve equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with six equivalent K(1)F12 cuboctahedra, corners with three equivalent Ti(1)F6 octahedra, faces with eight equivalent K(1)F12 cuboctahedra, and faces with three equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles are 18°. Ti(1) is bonded to six equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent K(1)F12 cuboctahedra and faces with six equivalent K(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_K2TiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.685
_cell_length_c   4.590
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   128.478
_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  0.333  0.667  0.698  1.0
  K  K1  1  0.667  0.333  0.302  1.0
  Ti  Ti2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.317  0.158  0.772  1.0
  F  F4  1  0.842  0.158  0.772  1.0
  F  F5  1  0.842  0.683  0.772  1.0
  F  F6  1  0.158  0.317  0.228  1.0
  F  F7  1  0.683  0.842  0.228  1.0
  F  F8  1  0.158  0.842  0.228  1.0
[/CIF]
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