The structure described by K2InGaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m 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, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent In(1)F6 octahedra, and faces with four equivalent Ga(1)F6 octahedra. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Ga(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent In(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent K(1), one In(1), and one Ga(1) atom to form a mixture of distorted face, corner, and edge-sharing FK4InGa octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_K2InGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.317
_cell_length_b   6.317
_cell_length_c   6.317
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   178.270
_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  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.267  0.267  0.733  1.0
  F  F5  1  0.267  0.733  0.733  1.0
  F  F6  1  0.733  0.733  0.267  1.0
  F  F7  1  0.267  0.733  0.267  1.0
  F  F8  1  0.733  0.267  0.733  1.0
  F  F9  1  0.733  0.267  0.267  1.0
[/CIF]
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The structure described by K2InGaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m 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, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent In(1)F6 octahedra, and faces with four equivalent Ga(1)F6 octahedra. In(1) is bonded to six equivalent F(1) atoms to form InF6 octahedra that share corners with six equivalent Ga(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent In(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded to four equivalent K(1), one In(1), and one Ga(1) atom to form a mixture of distorted face, corner, and edge-sharing FK4InGa octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_K2InGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.317
_cell_length_b   6.317
_cell_length_c   6.317
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   178.270
_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  0.250  0.250  0.250  1.0
  K  K1  1  0.750  0.750  0.750  1.0
  In  In2  1  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.267  0.267  0.733  1.0
  F  F5  1  0.267  0.733  0.733  1.0
  F  F6  1  0.733  0.733  0.267  1.0
  F  F7  1  0.267  0.733  0.267  1.0
  F  F8  1  0.733  0.267  0.733  1.0
  F  F9  1  0.733  0.267  0.267  1.0
[/CIF]
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