The crystal structure described by Th3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Th(1), four equivalent Th(2), and four equivalent Cd(1) atoms to form ThTh8Cd4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Cd4 cuboctahedra, edges with eight equivalent Th(1)Th8Cd4 cuboctahedra, edges with eight equivalent Th(2)Th8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Th12 cuboctahedra, faces with four equivalent Th(2)Th8Cd4 cuboctahedra, faces with four equivalent Cd(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Cd4 cuboctahedra. In the second Th site, Th(2) is bonded to eight equivalent Th(1) and four equivalent Cd(1) atoms to form distorted ThTh8Cd4 cuboctahedra that share corners with four equivalent Th(2)Th8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Th12 cuboctahedra, edges with eight equivalent Th(2)Th8Cd4 cuboctahedra, edges with sixteen equivalent Th(1)Th8Cd4 cuboctahedra, faces with four equivalent Th(2)Th8Cd4 cuboctahedra, faces with six equivalent Cd(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Cd4 cuboctahedra. Cd(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form CdTh12 cuboctahedra that share corners with four equivalent Cd(1)Th12 cuboctahedra, corners with eight equivalent Th(2)Th8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Cd4 cuboctahedra, faces with four equivalent Cd(1)Th12 cuboctahedra, faces with six equivalent Th(2)Th8Cd4 cuboctahedra, and faces with eight equivalent Th(1)Th8Cd4 cuboctahedra. is represented by the CIF file [CIF]
data_Th3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   6.109
_cell_length_c   6.109
_cell_angle_alpha   132.691
_cell_angle_beta   132.691
_cell_angle_gamma   69.140
_symmetry_Int_Tables_number   1
_cell_volume   120.911
_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  0.750  0.250  0.500  1.0
  Th  Th1  1  0.250  0.750  0.500  1.0
  Th  Th2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Th3Cd is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to four equivalent Th(1), four equivalent Th(2), and four equivalent Cd(1) atoms to form ThTh8Cd4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Cd4 cuboctahedra, edges with eight equivalent Th(1)Th8Cd4 cuboctahedra, edges with eight equivalent Th(2)Th8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Th12 cuboctahedra, faces with four equivalent Th(2)Th8Cd4 cuboctahedra, faces with four equivalent Cd(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Cd4 cuboctahedra. In the second Th site, Th(2) is bonded to eight equivalent Th(1) and four equivalent Cd(1) atoms to form distorted ThTh8Cd4 cuboctahedra that share corners with four equivalent Th(2)Th8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Th12 cuboctahedra, edges with eight equivalent Th(2)Th8Cd4 cuboctahedra, edges with sixteen equivalent Th(1)Th8Cd4 cuboctahedra, faces with four equivalent Th(2)Th8Cd4 cuboctahedra, faces with six equivalent Cd(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Cd4 cuboctahedra. Cd(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form CdTh12 cuboctahedra that share corners with four equivalent Cd(1)Th12 cuboctahedra, corners with eight equivalent Th(2)Th8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Cd4 cuboctahedra, faces with four equivalent Cd(1)Th12 cuboctahedra, faces with six equivalent Th(2)Th8Cd4 cuboctahedra, and faces with eight equivalent Th(1)Th8Cd4 cuboctahedra. is represented by the CIF file [CIF]
data_Th3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   6.109
_cell_length_c   6.109
_cell_angle_alpha   132.691
_cell_angle_beta   132.691
_cell_angle_gamma   69.140
_symmetry_Int_Tables_number   1
_cell_volume   120.911
_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  0.750  0.250  0.500  1.0
  Th  Th1  1  0.250  0.750  0.500  1.0
  Th  Th2  1  0.500  0.500  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
[/CIF]
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