The material described by ThNF crystallizes in the trigonal R-3m space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent N(1) and four equivalent F(1) atoms. N(1) is bonded to four equivalent Th(1) atoms to form NTh4 tetrahedra that share corners with six equivalent N(1)Th4 tetrahedra, corners with ten equivalent F(1)Th4 tetrahedra, edges with three equivalent N(1)Th4 tetrahedra, and edges with three equivalent F(1)Th4 tetrahedra. F(1) is bonded to four equivalent Th(1) atoms to form FTh4 tetrahedra that share corners with six equivalent F(1)Th4 tetrahedra, corners with ten equivalent N(1)Th4 tetrahedra, edges with three equivalent N(1)Th4 tetrahedra, and edges with three equivalent F(1)Th4 tetrahedra. is represented by the CIF file [CIF]
data_ThNF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.152
_cell_length_b   7.152
_cell_length_c   7.152
_cell_angle_alpha   32.552
_cell_angle_beta   32.552
_cell_angle_gamma   32.552
_symmetry_Int_Tables_number   1
_cell_volume   94.178
_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
  Th  Th0  1  0.739  0.739  0.739  1.0
  Th  Th1  1  0.261  0.261  0.261  1.0
  N  N2  1  0.622  0.622  0.622  1.0
  N  N3  1  0.378  0.378  0.378  1.0
  F  F4  1  0.132  0.132  0.132  1.0
  F  F5  1  0.868  0.868  0.868  1.0
[/CIF]
.
The material described by ThNF crystallizes in the trigonal R-3m space group. Th(1) is bonded in a body-centered cubic geometry to four equivalent N(1) and four equivalent F(1) atoms. N(1) is bonded to four equivalent Th(1) atoms to form NTh4 tetrahedra that share corners with six equivalent N(1)Th4 tetrahedra, corners with ten equivalent F(1)Th4 tetrahedra, edges with three equivalent N(1)Th4 tetrahedra, and edges with three equivalent F(1)Th4 tetrahedra. F(1) is bonded to four equivalent Th(1) atoms to form FTh4 tetrahedra that share corners with six equivalent F(1)Th4 tetrahedra, corners with ten equivalent N(1)Th4 tetrahedra, edges with three equivalent N(1)Th4 tetrahedra, and edges with three equivalent F(1)Th4 tetrahedra. is represented by the CIF file [CIF]
data_ThNF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.152
_cell_length_b   7.152
_cell_length_c   7.152
_cell_angle_alpha   32.552
_cell_angle_beta   32.552
_cell_angle_gamma   32.552
_symmetry_Int_Tables_number   1
_cell_volume   94.178
_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
  Th  Th0  1  0.739  0.739  0.739  1.0
  Th  Th1  1  0.261  0.261  0.261  1.0
  N  N2  1  0.622  0.622  0.622  1.0
  N  N3  1  0.378  0.378  0.378  1.0
  F  F4  1  0.132  0.132  0.132  1.0
  F  F5  1  0.868  0.868  0.868  1.0
[/CIF]
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