The material described by K2TlAsF6 crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Tl(1)F6 octahedra, and faces with four equivalent As(1)F6 octahedra. Tl(1) is bonded to six equivalent F(1) atoms to form TlF6 octahedra that share corners with six equivalent As(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent F(1) atoms to form AsF6 octahedra that share corners with six equivalent Tl(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Tl(1), and one As(1) atom. is represented by the CIF card [CIF]
data_K2TlAsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   6.637
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   206.720
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.780  0.220  0.220  1.0
  F  F5  1  0.220  0.220  0.780  1.0
  F  F6  1  0.220  0.780  0.780  1.0
  F  F7  1  0.220  0.780  0.220  1.0
  F  F8  1  0.780  0.220  0.780  1.0
  F  F9  1  0.780  0.780  0.220  1.0
[/CIF]
.
The material described by K2TlAsF6 crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent F(1) atoms to form distorted KF12 cuboctahedra that share corners with twelve equivalent K(1)F12 cuboctahedra, faces with six equivalent K(1)F12 cuboctahedra, faces with four equivalent Tl(1)F6 octahedra, and faces with four equivalent As(1)F6 octahedra. Tl(1) is bonded to six equivalent F(1) atoms to form TlF6 octahedra that share corners with six equivalent As(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent F(1) atoms to form AsF6 octahedra that share corners with six equivalent Tl(1)F6 octahedra and faces with eight equivalent K(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. F(1) is bonded in a distorted linear geometry to four equivalent K(1), one Tl(1), and one As(1) atom. is represented by the CIF card [CIF]
data_K2TlAsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.637
_cell_length_c   6.637
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   206.720
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Tl  Tl2  1  0.500  0.500  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.780  0.220  0.220  1.0
  F  F5  1  0.220  0.220  0.780  1.0
  F  F6  1  0.220  0.780  0.780  1.0
  F  F7  1  0.220  0.780  0.220  1.0
  F  F8  1  0.780  0.220  0.780  1.0
  F  F9  1  0.780  0.780  0.220  1.0
[/CIF]
.