The structure described by Na2ThF6 crystallizes in the trigonal P321 space group. 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(2) and six equivalent F(1) 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 a mixture of distorted edge and corner-sharing FNa2Th2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Th(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2ThF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   3.836
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.891
_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  0.667  0.333  0.591  1.0
  Na  Na1  1  0.333  0.667  0.409  1.0
  Th  Th2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.746  0.746  0.500  1.0
  F  F4  1  0.000  0.254  0.500  1.0
  F  F5  1  0.254  0.000  0.500  1.0
  F  F6  1  0.615  0.000  0.000  1.0
  F  F7  1  0.000  0.615  0.000  1.0
  F  F8  1  0.385  0.385  0.000  1.0
[/CIF]
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The structure described by Na2ThF6 crystallizes in the trigonal P321 space group. 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(2) and six equivalent F(1) 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 a mixture of distorted edge and corner-sharing FNa2Th2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Th(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2ThF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   3.836
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.891
_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  0.667  0.333  0.591  1.0
  Na  Na1  1  0.333  0.667  0.409  1.0
  Th  Th2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.746  0.746  0.500  1.0
  F  F4  1  0.000  0.254  0.500  1.0
  F  F5  1  0.254  0.000  0.500  1.0
  F  F6  1  0.615  0.000  0.000  1.0
  F  F7  1  0.000  0.615  0.000  1.0
  F  F8  1  0.385  0.385  0.000  1.0
[/CIF]
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