Th3Zn 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 Zn(1) atoms to form ThTh8Zn4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Zn4 cuboctahedra, edges with eight equivalent Th(1)Th8Zn4 cuboctahedra, edges with eight equivalent Th(2)Th8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Th12 cuboctahedra, faces with four equivalent Th(2)Th8Zn4 cuboctahedra, faces with four equivalent Zn(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Zn4 cuboctahedra. In the second Th site, Th(2) is bonded to eight equivalent Th(1) and four equivalent Zn(1) atoms to form distorted ThTh8Zn4 cuboctahedra that share corners with four equivalent Th(2)Th8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Th12 cuboctahedra, edges with eight equivalent Th(2)Th8Zn4 cuboctahedra, edges with sixteen equivalent Th(1)Th8Zn4 cuboctahedra, faces with four equivalent Th(2)Th8Zn4 cuboctahedra, faces with six equivalent Zn(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Zn4 cuboctahedra. Zn(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form ZnTh12 cuboctahedra that share corners with four equivalent Zn(1)Th12 cuboctahedra, corners with eight equivalent Th(2)Th8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Zn4 cuboctahedra, faces with four equivalent Zn(1)Th12 cuboctahedra, faces with six equivalent Th(2)Th8Zn4 cuboctahedra, and faces with eight equivalent Th(1)Th8Zn4 cuboctahedra.
Th3Zn 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 Zn(1) atoms to form ThTh8Zn4 cuboctahedra that share corners with twelve equivalent Th(1)Th8Zn4 cuboctahedra, edges with eight equivalent Th(1)Th8Zn4 cuboctahedra, edges with eight equivalent Th(2)Th8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Th12 cuboctahedra, faces with four equivalent Th(2)Th8Zn4 cuboctahedra, faces with four equivalent Zn(1)Th12 cuboctahedra, and faces with ten equivalent Th(1)Th8Zn4 cuboctahedra. All Th(1)-Th(1) bond lengths are 3.39 Å. All Th(1)-Th(2) bond lengths are 3.46 Å. All Th(1)-Zn(1) bond lengths are 3.46 Å. In the second Th site, Th(2) is bonded to eight equivalent Th(1) and four equivalent Zn(1) atoms to form distorted ThTh8Zn4 cuboctahedra that share corners with four equivalent Th(2)Th8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Th12 cuboctahedra, edges with eight equivalent Th(2)Th8Zn4 cuboctahedra, edges with sixteen equivalent Th(1)Th8Zn4 cuboctahedra, faces with four equivalent Th(2)Th8Zn4 cuboctahedra, faces with six equivalent Zn(1)Th12 cuboctahedra, and faces with eight equivalent Th(1)Th8Zn4 cuboctahedra. All Th(2)-Zn(1) bond lengths are 3.39 Å. Zn(1) is bonded to four equivalent Th(2) and eight equivalent Th(1) atoms to form ZnTh12 cuboctahedra that share corners with four equivalent Zn(1)Th12 cuboctahedra, corners with eight equivalent Th(2)Th8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8Zn4 cuboctahedra, faces with four equivalent Zn(1)Th12 cuboctahedra, faces with six equivalent Th(2)Th8Zn4 cuboctahedra, and faces with eight equivalent Th(1)Th8Zn4 cuboctahedra.