The structure described by ThNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form ThNd12 cuboctahedra that share corners with four equivalent Th(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)Nd8Th4 cuboctahedra, edges with eight equivalent Th(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Th4 cuboctahedra, faces with four equivalent Th(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)Nd8Th4 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Th4 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Th(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdNd8Th4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Th4 cuboctahedra, edges with eight equivalent Th(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)Nd8Th4 cuboctahedra, edges with eight equivalent Nd(2)Nd8Th4 cuboctahedra, faces with four equivalent Th(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)Nd8Th4 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Th4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Th(1) and eight equivalent Nd(1) atoms to form NdNd8Th4 cuboctahedra that share corners with four equivalent Nd(2)Nd8Th4 cuboctahedra, corners with eight equivalent Th(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)Nd8Th4 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Th4 cuboctahedra, faces with four equivalent Nd(2)Nd8Th4 cuboctahedra, faces with six equivalent Th(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Th4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   6.339
_cell_length_c   6.339
_cell_angle_alpha   132.022
_cell_angle_beta   132.022
_cell_angle_gamma   70.195
_symmetry_Int_Tables_number   1
_cell_volume   137.761
_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
  Nd  Nd0  1  0.750  0.250  0.500  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by ThNd3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded to four equivalent Nd(2) and eight equivalent Nd(1) atoms to form ThNd12 cuboctahedra that share corners with four equivalent Th(1)Nd12 cuboctahedra, corners with eight equivalent Nd(2)Nd8Th4 cuboctahedra, edges with eight equivalent Th(1)Nd12 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Th4 cuboctahedra, faces with four equivalent Th(1)Nd12 cuboctahedra, faces with six equivalent Nd(2)Nd8Th4 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Th4 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to four equivalent Th(1), four equivalent Nd(1), and four equivalent Nd(2) atoms to form NdNd8Th4 cuboctahedra that share corners with twelve equivalent Nd(1)Nd8Th4 cuboctahedra, edges with eight equivalent Th(1)Nd12 cuboctahedra, edges with eight equivalent Nd(1)Nd8Th4 cuboctahedra, edges with eight equivalent Nd(2)Nd8Th4 cuboctahedra, faces with four equivalent Th(1)Nd12 cuboctahedra, faces with four equivalent Nd(2)Nd8Th4 cuboctahedra, and faces with ten equivalent Nd(1)Nd8Th4 cuboctahedra. In the second Nd site, Nd(2) is bonded to four equivalent Th(1) and eight equivalent Nd(1) atoms to form NdNd8Th4 cuboctahedra that share corners with four equivalent Nd(2)Nd8Th4 cuboctahedra, corners with eight equivalent Th(1)Nd12 cuboctahedra, edges with eight equivalent Nd(2)Nd8Th4 cuboctahedra, edges with sixteen equivalent Nd(1)Nd8Th4 cuboctahedra, faces with four equivalent Nd(2)Nd8Th4 cuboctahedra, faces with six equivalent Th(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(1)Nd8Th4 cuboctahedra. is represented by the CIF file [CIF]
data_Nd3Th
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.339
_cell_length_b   6.339
_cell_length_c   6.339
_cell_angle_alpha   132.022
_cell_angle_beta   132.022
_cell_angle_gamma   70.195
_symmetry_Int_Tables_number   1
_cell_volume   137.761
_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
  Nd  Nd0  1  0.750  0.250  0.500  1.0
  Nd  Nd1  1  0.250  0.750  0.500  1.0
  Nd  Nd2  1  0.500  0.500  0.000  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
[/CIF]
.