The structure described by Tb3Nd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Nd4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Nd4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Nd4 cuboctahedra, faces with four equivalent Nd(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Nd4 cuboctahedra. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Nd4 cuboctahedra, corners with eight equivalent Nd(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Nd4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Nd4 cuboctahedra, faces with four equivalent Tb(2)Tb8Nd4 cuboctahedra, faces with six equivalent Nd(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Nd4 cuboctahedra. Nd(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form NdTb12 cuboctahedra that share corners with four equivalent Nd(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Nd4 cuboctahedra, faces with four equivalent Nd(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Nd4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Nd4 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   6.225
_cell_angle_alpha   131.748
_cell_angle_beta   131.748
_cell_angle_gamma   70.628
_symmetry_Int_Tables_number   1
_cell_volume   131.520
_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
  Tb  Tb0  1  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Tb3Nd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with twelve equivalent Tb(1)Tb8Nd4 cuboctahedra, edges with eight equivalent Tb(1)Tb8Nd4 cuboctahedra, edges with eight equivalent Tb(2)Tb8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Tb12 cuboctahedra, faces with four equivalent Tb(2)Tb8Nd4 cuboctahedra, faces with four equivalent Nd(1)Tb12 cuboctahedra, and faces with ten equivalent Tb(1)Tb8Nd4 cuboctahedra. In the second Tb site, Tb(2) is bonded to eight equivalent Tb(1) and four equivalent Nd(1) atoms to form TbTb8Nd4 cuboctahedra that share corners with four equivalent Tb(2)Tb8Nd4 cuboctahedra, corners with eight equivalent Nd(1)Tb12 cuboctahedra, edges with eight equivalent Tb(2)Tb8Nd4 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Nd4 cuboctahedra, faces with four equivalent Tb(2)Tb8Nd4 cuboctahedra, faces with six equivalent Nd(1)Tb12 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Nd4 cuboctahedra. Nd(1) is bonded to four equivalent Tb(2) and eight equivalent Tb(1) atoms to form NdTb12 cuboctahedra that share corners with four equivalent Nd(1)Tb12 cuboctahedra, corners with eight equivalent Tb(2)Tb8Nd4 cuboctahedra, edges with eight equivalent Nd(1)Tb12 cuboctahedra, edges with sixteen equivalent Tb(1)Tb8Nd4 cuboctahedra, faces with four equivalent Nd(1)Tb12 cuboctahedra, faces with six equivalent Tb(2)Tb8Nd4 cuboctahedra, and faces with eight equivalent Tb(1)Tb8Nd4 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Nd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   6.225
_cell_length_c   6.225
_cell_angle_alpha   131.748
_cell_angle_beta   131.748
_cell_angle_gamma   70.628
_symmetry_Int_Tables_number   1
_cell_volume   131.520
_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
  Tb  Tb0  1  0.750  0.250  0.500  1.0
  Tb  Tb1  1  0.250  0.750  0.500  1.0
  Tb  Tb2  1  0.500  0.500  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.000  1.0
[/CIF]
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