The structure described by KNaThF6 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 9-coordinate geometry to three equivalent F(2) and six equivalent F(1) atoms. Na(1) is bonded in a 6-coordinate geometry to three equivalent F(1) and three equivalent F(2) atoms. Th(1) is bonded in a 9-coordinate geometry to three equivalent F(1) and six equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent K(1), one Na(1), and one Th(1) atom to form distorted FK2NaTh tetrahedra that share corners with eight equivalent F(1)K2NaTh tetrahedra, corners with nine equivalent F(2)KNaTh2 tetrahedra, edges with three equivalent F(1)K2NaTh tetrahedra, and edges with three equivalent F(2)KNaTh2 tetrahedra. In the second F site, F(2) is bonded to one K(1), one Na(1), and two equivalent Th(1) atoms to form distorted FKNaTh2 tetrahedra that share corners with eight equivalent F(2)KNaTh2 tetrahedra, corners with nine equivalent F(1)K2NaTh tetrahedra, edges with three equivalent F(1)K2NaTh tetrahedra, and edges with three equivalent F(2)KNaTh2 tetrahedra. is represented by the CIF file [CIF]
data_KNaThF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   7.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   267.743
_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  0.667  0.333  0.392  1.0
  K  K1  1  0.333  0.667  0.608  1.0
  Na  Na2  1  0.000  0.000  0.234  1.0
  Na  Na3  1  0.000  0.000  0.766  1.0
  Th  Th4  1  0.333  0.667  0.124  1.0
  Th  Th5  1  0.667  0.333  0.876  1.0
  F  F6  1  0.276  0.896  0.325  1.0
  F  F7  1  0.922  0.613  0.099  1.0
  F  F8  1  0.387  0.309  0.099  1.0
  F  F9  1  0.613  0.691  0.901  1.0
  F  F10  1  0.896  0.620  0.675  1.0
  F  F11  1  0.724  0.104  0.675  1.0
  F  F12  1  0.309  0.922  0.901  1.0
  F  F13  1  0.078  0.387  0.901  1.0
  F  F14  1  0.104  0.380  0.325  1.0
  F  F15  1  0.691  0.078  0.099  1.0
  F  F16  1  0.620  0.724  0.325  1.0
  F  F17  1  0.380  0.276  0.675  1.0
[/CIF]
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The structure described by KNaThF6 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 9-coordinate geometry to three equivalent F(2) and six equivalent F(1) atoms. Na(1) is bonded in a 6-coordinate geometry to three equivalent F(1) and three equivalent F(2) atoms. Th(1) is bonded in a 9-coordinate geometry to three equivalent F(1) and six equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent K(1), one Na(1), and one Th(1) atom to form distorted FK2NaTh tetrahedra that share corners with eight equivalent F(1)K2NaTh tetrahedra, corners with nine equivalent F(2)KNaTh2 tetrahedra, edges with three equivalent F(1)K2NaTh tetrahedra, and edges with three equivalent F(2)KNaTh2 tetrahedra. In the second F site, F(2) is bonded to one K(1), one Na(1), and two equivalent Th(1) atoms to form distorted FKNaTh2 tetrahedra that share corners with eight equivalent F(2)KNaTh2 tetrahedra, corners with nine equivalent F(1)K2NaTh tetrahedra, edges with three equivalent F(1)K2NaTh tetrahedra, and edges with three equivalent F(2)KNaTh2 tetrahedra. is represented by the CIF file [CIF]
data_KNaThF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.272
_cell_length_b   6.272
_cell_length_c   7.859
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   267.743
_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  0.667  0.333  0.392  1.0
  K  K1  1  0.333  0.667  0.608  1.0
  Na  Na2  1  0.000  0.000  0.234  1.0
  Na  Na3  1  0.000  0.000  0.766  1.0
  Th  Th4  1  0.333  0.667  0.124  1.0
  Th  Th5  1  0.667  0.333  0.876  1.0
  F  F6  1  0.276  0.896  0.325  1.0
  F  F7  1  0.922  0.613  0.099  1.0
  F  F8  1  0.387  0.309  0.099  1.0
  F  F9  1  0.613  0.691  0.901  1.0
  F  F10  1  0.896  0.620  0.675  1.0
  F  F11  1  0.724  0.104  0.675  1.0
  F  F12  1  0.309  0.922  0.901  1.0
  F  F13  1  0.078  0.387  0.901  1.0
  F  F14  1  0.104  0.380  0.325  1.0
  F  F15  1  0.691  0.078  0.099  1.0
  F  F16  1  0.620  0.724  0.325  1.0
  F  F17  1  0.380  0.276  0.675  1.0
[/CIF]
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