The structure described by K2SiF6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form distorted KF12 cuboctahedra that share corners with six equivalent K(1)F12 cuboctahedra, corners with three equivalent Si(1)F6 octahedra, faces with two equivalent K(1)F12 cuboctahedra, faces with six equivalent K(2)F12 cuboctahedra, and faces with three equivalent Si(1)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second K site, K(2) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(2)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with four equivalent Si(1)F6 octahedra. Si(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form SiF6 octahedra that share corners with three equivalent K(1)F12 cuboctahedra, faces with three equivalent K(1)F12 cuboctahedra, and faces with four equivalent K(2)F12 cuboctahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent K(1), two equivalent K(2), and one Si(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_K2SiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.575
_cell_length_b   5.575
_cell_length_c   9.116
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.424
_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  0.000  0.000  0.313  1.0
  K  K1  1  1.000  1.000  0.813  1.0
  K  K2  1  0.333  0.667  0.593  1.0
  K  K3  1  0.667  0.333  0.093  1.0
  Si  Si4  1  0.667  0.333  0.476  1.0
  Si  Si5  1  0.333  0.667  0.976  1.0
  F  F6  1  0.953  0.476  0.366  1.0
  F  F7  1  0.476  0.953  0.866  1.0
  F  F8  1  0.476  0.524  0.866  1.0
  F  F9  1  0.524  0.476  0.366  1.0
  F  F10  1  0.524  0.047  0.366  1.0
  F  F11  1  0.047  0.524  0.866  1.0
  F  F12  1  0.624  0.812  0.080  1.0
  F  F13  1  0.812  0.624  0.580  1.0
  F  F14  1  0.812  0.188  0.580  1.0
  F  F15  1  0.188  0.812  0.080  1.0
  F  F16  1  0.188  0.376  0.080  1.0
  F  F17  1  0.376  0.188  0.580  1.0
[/CIF]
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The structure described by K2SiF6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form distorted KF12 cuboctahedra that share corners with six equivalent K(1)F12 cuboctahedra, corners with three equivalent Si(1)F6 octahedra, faces with two equivalent K(1)F12 cuboctahedra, faces with six equivalent K(2)F12 cuboctahedra, and faces with three equivalent Si(1)F6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second K site, K(2) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(2)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, and faces with four equivalent Si(1)F6 octahedra. Si(1) is bonded to three equivalent F(1) and three equivalent F(2) atoms to form SiF6 octahedra that share corners with three equivalent K(1)F12 cuboctahedra, faces with three equivalent K(1)F12 cuboctahedra, and faces with four equivalent K(2)F12 cuboctahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to two equivalent K(1), two equivalent K(2), and one Si(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_K2SiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.575
_cell_length_b   5.575
_cell_length_c   9.116
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.424
_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  0.000  0.000  0.313  1.0
  K  K1  1  1.000  1.000  0.813  1.0
  K  K2  1  0.333  0.667  0.593  1.0
  K  K3  1  0.667  0.333  0.093  1.0
  Si  Si4  1  0.667  0.333  0.476  1.0
  Si  Si5  1  0.333  0.667  0.976  1.0
  F  F6  1  0.953  0.476  0.366  1.0
  F  F7  1  0.476  0.953  0.866  1.0
  F  F8  1  0.476  0.524  0.866  1.0
  F  F9  1  0.524  0.476  0.366  1.0
  F  F10  1  0.524  0.047  0.366  1.0
  F  F11  1  0.047  0.524  0.866  1.0
  F  F12  1  0.624  0.812  0.080  1.0
  F  F13  1  0.812  0.624  0.580  1.0
  F  F14  1  0.812  0.188  0.580  1.0
  F  F15  1  0.188  0.812  0.080  1.0
  F  F16  1  0.188  0.376  0.080  1.0
  F  F17  1  0.376  0.188  0.580  1.0
[/CIF]
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