The crystal structure described by ThPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with six equivalent Th(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with six equivalent Th(2)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. In the second Th site, Th(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with twelve equivalent Th(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with six equivalent Th(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Th(1), two equivalent Th(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTh4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, edges with four equivalent Th(1)Pd12 cuboctahedra, edges with four equivalent Th(2)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with two equivalent Th(2)Pd12 cuboctahedra, and faces with four equivalent Pd(1)Th4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Th(1), two equivalent Th(2), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_ThPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   9.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   297.154
_cell_formula_units_Z   4
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  0.500  1.0
  Th  Th1  1  0.667  0.333  0.750  1.0
  Th  Th2  1  0.333  0.667  0.250  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
  Pd  Pd4  1  0.174  0.826  0.750  1.0
  Pd  Pd5  1  0.651  0.826  0.750  1.0
  Pd  Pd6  1  0.000  0.500  0.000  1.0
  Pd  Pd7  1  0.500  0.500  0.000  1.0
  Pd  Pd8  1  0.826  0.651  0.250  1.0
  Pd  Pd9  1  0.349  0.174  0.250  1.0
  Pd  Pd10  1  0.174  0.349  0.750  1.0
  Pd  Pd11  1  0.500  0.500  0.500  1.0
  Pd  Pd12  1  0.500  0.000  0.500  1.0
  Pd  Pd13  1  0.826  0.174  0.250  1.0
  Pd  Pd14  1  0.500  0.000  0.000  1.0
  Pd  Pd15  1  0.000  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by ThPd3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with six equivalent Th(1)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with six equivalent Th(2)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. In the second Th site, Th(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form ThPd12 cuboctahedra that share corners with twelve equivalent Th(2)Pd12 cuboctahedra, edges with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, faces with six equivalent Th(1)Pd12 cuboctahedra, and faces with six equivalent Pd(1)Th4Pd8 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to two equivalent Th(1), two equivalent Th(2), four equivalent Pd(1), and four equivalent Pd(2) atoms to form distorted PdTh4Pd8 cuboctahedra that share corners with twelve equivalent Pd(1)Th4Pd8 cuboctahedra, edges with four equivalent Th(1)Pd12 cuboctahedra, edges with four equivalent Th(2)Pd12 cuboctahedra, edges with eight equivalent Pd(1)Th4Pd8 cuboctahedra, faces with two equivalent Th(1)Pd12 cuboctahedra, faces with two equivalent Th(2)Pd12 cuboctahedra, and faces with four equivalent Pd(1)Th4Pd8 cuboctahedra. In the second Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Th(1), two equivalent Th(2), and four equivalent Pd(1) atoms. is represented by the CIF file [CIF]
data_ThPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.888
_cell_length_c   9.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   297.154
_cell_formula_units_Z   4
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  0.500  1.0
  Th  Th1  1  0.667  0.333  0.750  1.0
  Th  Th2  1  0.333  0.667  0.250  1.0
  Th  Th3  1  0.000  0.000  0.000  1.0
  Pd  Pd4  1  0.174  0.826  0.750  1.0
  Pd  Pd5  1  0.651  0.826  0.750  1.0
  Pd  Pd6  1  0.000  0.500  0.000  1.0
  Pd  Pd7  1  0.500  0.500  0.000  1.0
  Pd  Pd8  1  0.826  0.651  0.250  1.0
  Pd  Pd9  1  0.349  0.174  0.250  1.0
  Pd  Pd10  1  0.174  0.349  0.750  1.0
  Pd  Pd11  1  0.500  0.500  0.500  1.0
  Pd  Pd12  1  0.500  0.000  0.500  1.0
  Pd  Pd13  1  0.826  0.174  0.250  1.0
  Pd  Pd14  1  0.500  0.000  0.000  1.0
  Pd  Pd15  1  0.000  0.500  0.500  1.0
[/CIF]
.