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.
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. All Th(1)-Th(1) bond lengths are 3.47 Å. All Th(1)-Th(2) bond lengths are 3.51 Å. All Th(1)-Cd(1) bond lengths are 3.51 Å. 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. All Th(2)-Cd(1) bond lengths are 3.47 Å. 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.