The crystal structure described by Na2ThF6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and six equivalent F(2) atoms. Th(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1) and two equivalent Th(1) atoms to form FNa2Th2 tetrahedra that share corners with four equivalent F(1)Na2Th2 tetrahedra, corners with twelve equivalent F(2)Na3Th tetrahedra, edges with two equivalent F(1)Na2Th2 tetrahedra, and edges with four equivalent F(2)Na3Th tetrahedra. In the second F site, F(2) is bonded to three equivalent Na(1) and one Th(1) atom to form FNa3Th tetrahedra that share corners with six equivalent F(1)Na2Th2 tetrahedra, corners with ten equivalent F(2)Na3Th tetrahedra, edges with two equivalent F(1)Na2Th2 tetrahedra, and edges with four equivalent F(2)Na3Th tetrahedra. is represented by the CIF file [CIF]
data_Na2ThF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.664
_cell_length_b   6.664
_cell_length_c   6.664
_cell_angle_alpha   144.597
_cell_angle_beta   131.297
_cell_angle_gamma   61.637
_symmetry_Int_Tables_number   1
_cell_volume   127.450
_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
  Na  Na0  1  0.675  0.675  0.000  1.0
  Na  Na1  1  0.325  0.325  0.000  1.0
  Th  Th2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.765  0.500  0.265  1.0
  F  F4  1  0.406  0.158  0.247  1.0
  F  F5  1  0.089  0.842  0.247  1.0
  F  F6  1  0.235  0.500  0.735  1.0
  F  F7  1  0.911  0.158  0.753  1.0
  F  F8  1  0.594  0.842  0.753  1.0
[/CIF]
.
The crystal structure described by Na2ThF6 is Fluorite-derived structured and crystallizes in the orthorhombic Immm space group. Na(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and six equivalent F(2) atoms. Th(1) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Na(1) and two equivalent Th(1) atoms to form FNa2Th2 tetrahedra that share corners with four equivalent F(1)Na2Th2 tetrahedra, corners with twelve equivalent F(2)Na3Th tetrahedra, edges with two equivalent F(1)Na2Th2 tetrahedra, and edges with four equivalent F(2)Na3Th tetrahedra. In the second F site, F(2) is bonded to three equivalent Na(1) and one Th(1) atom to form FNa3Th tetrahedra that share corners with six equivalent F(1)Na2Th2 tetrahedra, corners with ten equivalent F(2)Na3Th tetrahedra, edges with two equivalent F(1)Na2Th2 tetrahedra, and edges with four equivalent F(2)Na3Th tetrahedra. is represented by the CIF file [CIF]
data_Na2ThF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.664
_cell_length_b   6.664
_cell_length_c   6.664
_cell_angle_alpha   144.597
_cell_angle_beta   131.297
_cell_angle_gamma   61.637
_symmetry_Int_Tables_number   1
_cell_volume   127.450
_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
  Na  Na0  1  0.675  0.675  0.000  1.0
  Na  Na1  1  0.325  0.325  0.000  1.0
  Th  Th2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.765  0.500  0.265  1.0
  F  F4  1  0.406  0.158  0.247  1.0
  F  F5  1  0.089  0.842  0.247  1.0
  F  F6  1  0.235  0.500  0.735  1.0
  F  F7  1  0.911  0.158  0.753  1.0
  F  F8  1  0.594  0.842  0.753  1.0
[/CIF]
.