CdZn3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form CdZn12 cuboctahedra that share corners with four equivalent Cd(1)Zn12 cuboctahedra, corners with eight equivalent Zn(2)Zn8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Cd4 cuboctahedra, faces with four equivalent Cd(1)Zn12 cuboctahedra, faces with six equivalent Zn(2)Zn8Cd4 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Cd4 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Cd(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnZn8Cd4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Cd4 cuboctahedra, edges with eight equivalent Zn(2)Zn8Cd4 cuboctahedra, faces with four equivalent Cd(1)Zn12 cuboctahedra, faces with four equivalent Zn(2)Zn8Cd4 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Cd4 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Cd(1) and eight equivalent Zn(1) atoms to form ZnZn8Cd4 cuboctahedra that share corners with four equivalent Zn(2)Zn8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Zn12 cuboctahedra, edges with eight equivalent Zn(2)Zn8Cd4 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Cd4 cuboctahedra, faces with four equivalent Zn(2)Zn8Cd4 cuboctahedra, faces with six equivalent Cd(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Cd4 cuboctahedra.
CdZn3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Cd(1) is bonded to four equivalent Zn(2) and eight equivalent Zn(1) atoms to form CdZn12 cuboctahedra that share corners with four equivalent Cd(1)Zn12 cuboctahedra, corners with eight equivalent Zn(2)Zn8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Cd4 cuboctahedra, faces with four equivalent Cd(1)Zn12 cuboctahedra, faces with six equivalent Zn(2)Zn8Cd4 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Cd4 cuboctahedra. All Cd(1)-Zn(2) bond lengths are 2.85 Å. All Cd(1)-Zn(1) bond lengths are 2.84 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Cd(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form ZnZn8Cd4 cuboctahedra that share corners with twelve equivalent Zn(1)Zn8Cd4 cuboctahedra, edges with eight equivalent Cd(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Zn8Cd4 cuboctahedra, edges with eight equivalent Zn(2)Zn8Cd4 cuboctahedra, faces with four equivalent Cd(1)Zn12 cuboctahedra, faces with four equivalent Zn(2)Zn8Cd4 cuboctahedra, and faces with ten equivalent Zn(1)Zn8Cd4 cuboctahedra. All Zn(1)-Zn(1) bond lengths are 2.85 Å. All Zn(1)-Zn(2) bond lengths are 2.84 Å. In the second Zn site, Zn(2) is bonded to four equivalent Cd(1) and eight equivalent Zn(1) atoms to form ZnZn8Cd4 cuboctahedra that share corners with four equivalent Zn(2)Zn8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Zn12 cuboctahedra, edges with eight equivalent Zn(2)Zn8Cd4 cuboctahedra, edges with sixteen equivalent Zn(1)Zn8Cd4 cuboctahedra, faces with four equivalent Zn(2)Zn8Cd4 cuboctahedra, faces with six equivalent Cd(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(1)Zn8Cd4 cuboctahedra.