The compound described by Th3N4 crystallizes in the trigonal R-3m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to six equivalent N(2) atoms to form edge-sharing ThN6 octahedra. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to three equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent Th(1) and three equivalent Th(2) atoms to form NTh6 octahedra that share corners with three equivalent N(2)Th6 octahedra, corners with six equivalent N(1)Th4 tetrahedra, edges with nine equivalent N(2)Th6 octahedra, and edges with three equivalent N(1)Th4 tetrahedra. The corner-sharing octahedra are not tilted. In the second N site, N(1) is bonded to four equivalent Th(2) atoms to form NTh4 tetrahedra that share corners with six equivalent N(2)Th6 octahedra, corners with six equivalent N(1)Th4 tetrahedra, edges with three equivalent N(2)Th6 octahedra, and edges with three equivalent N(1)Th4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. is represented by the CIF card [CIF]
data_Th3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.423
_cell_length_b   9.423
_cell_length_c   9.423
_cell_angle_alpha   23.733
_cell_angle_beta   23.733
_cell_angle_gamma   23.733
_symmetry_Int_Tables_number   1
_cell_volume   119.061
_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
  Th  Th0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.222  0.222  0.222  1.0
  Th  Th2  1  0.778  0.778  0.778  1.0
  N  N3  1  0.132  0.132  0.132  1.0
  N  N4  1  0.868  0.868  0.868  1.0
  N  N5  1  0.377  0.377  0.377  1.0
  N  N6  1  0.623  0.623  0.623  1.0
[/CIF]
.
The compound described by Th3N4 crystallizes in the trigonal R-3m space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to six equivalent N(2) atoms to form edge-sharing ThN6 octahedra. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to three equivalent N(2) and four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded to three equivalent Th(1) and three equivalent Th(2) atoms to form NTh6 octahedra that share corners with three equivalent N(2)Th6 octahedra, corners with six equivalent N(1)Th4 tetrahedra, edges with nine equivalent N(2)Th6 octahedra, and edges with three equivalent N(1)Th4 tetrahedra. The corner-sharing octahedra are not tilted. In the second N site, N(1) is bonded to four equivalent Th(2) atoms to form NTh4 tetrahedra that share corners with six equivalent N(2)Th6 octahedra, corners with six equivalent N(1)Th4 tetrahedra, edges with three equivalent N(2)Th6 octahedra, and edges with three equivalent N(1)Th4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. is represented by the CIF card [CIF]
data_Th3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.423
_cell_length_b   9.423
_cell_length_c   9.423
_cell_angle_alpha   23.733
_cell_angle_beta   23.733
_cell_angle_gamma   23.733
_symmetry_Int_Tables_number   1
_cell_volume   119.061
_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
  Th  Th0  1  0.000  0.000  0.000  1.0
  Th  Th1  1  0.222  0.222  0.222  1.0
  Th  Th2  1  0.778  0.778  0.778  1.0
  N  N3  1  0.132  0.132  0.132  1.0
  N  N4  1  0.868  0.868  0.868  1.0
  N  N5  1  0.377  0.377  0.377  1.0
  N  N6  1  0.623  0.623  0.623  1.0
[/CIF]
.