ThLu3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded to four equivalent Lu(2) and eight equivalent Lu(1) atoms to form ThLu12 cuboctahedra that share corners with four equivalent Th(1)Lu12 cuboctahedra, corners with eight equivalent Lu(2)Lu8Th4 cuboctahedra, edges with eight equivalent Th(1)Lu12 cuboctahedra, edges with sixteen equivalent Lu(1)Lu8Th4 cuboctahedra, faces with four equivalent Th(1)Lu12 cuboctahedra, faces with six equivalent Lu(2)Lu8Th4 cuboctahedra, and faces with eight equivalent Lu(1)Lu8Th4 cuboctahedra. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Th(1), four equivalent Lu(1), and four equivalent Lu(2) atoms to form LuLu8Th4 cuboctahedra that share corners with twelve equivalent Lu(1)Lu8Th4 cuboctahedra, edges with eight equivalent Th(1)Lu12 cuboctahedra, edges with eight equivalent Lu(1)Lu8Th4 cuboctahedra, edges with eight equivalent Lu(2)Lu8Th4 cuboctahedra, faces with four equivalent Th(1)Lu12 cuboctahedra, faces with four equivalent Lu(2)Lu8Th4 cuboctahedra, and faces with ten equivalent Lu(1)Lu8Th4 cuboctahedra. In the second Lu site, Lu(2) is bonded to four equivalent Th(1) and eight equivalent Lu(1) atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent Lu(2)Lu8Th4 cuboctahedra, corners with eight equivalent Th(1)Lu12 cuboctahedra, edges with eight equivalent Lu(2)Lu8Th4 cuboctahedra, edges with sixteen equivalent Lu(1)Lu8Th4 cuboctahedra, faces with four equivalent Lu(2)Lu8Th4 cuboctahedra, faces with six equivalent Th(1)Lu12 cuboctahedra, and faces with eight equivalent Lu(1)Lu8Th4 cuboctahedra.
ThLu3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. Th(1) is bonded to four equivalent Lu(2) and eight equivalent Lu(1) atoms to form ThLu12 cuboctahedra that share corners with four equivalent Th(1)Lu12 cuboctahedra, corners with eight equivalent Lu(2)Lu8Th4 cuboctahedra, edges with eight equivalent Th(1)Lu12 cuboctahedra, edges with sixteen equivalent Lu(1)Lu8Th4 cuboctahedra, faces with four equivalent Th(1)Lu12 cuboctahedra, faces with six equivalent Lu(2)Lu8Th4 cuboctahedra, and faces with eight equivalent Lu(1)Lu8Th4 cuboctahedra. All Th(1)-Lu(2) bond lengths are 3.54 Å. All Th(1)-Lu(1) bond lengths are 3.48 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to four equivalent Th(1), four equivalent Lu(1), and four equivalent Lu(2) atoms to form LuLu8Th4 cuboctahedra that share corners with twelve equivalent Lu(1)Lu8Th4 cuboctahedra, edges with eight equivalent Th(1)Lu12 cuboctahedra, edges with eight equivalent Lu(1)Lu8Th4 cuboctahedra, edges with eight equivalent Lu(2)Lu8Th4 cuboctahedra, faces with four equivalent Th(1)Lu12 cuboctahedra, faces with four equivalent Lu(2)Lu8Th4 cuboctahedra, and faces with ten equivalent Lu(1)Lu8Th4 cuboctahedra. All Lu(1)-Lu(1) bond lengths are 3.54 Å. All Lu(1)-Lu(2) bond lengths are 3.48 Å. In the second Lu site, Lu(2) is bonded to four equivalent Th(1) and eight equivalent Lu(1) atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent Lu(2)Lu8Th4 cuboctahedra, corners with eight equivalent Th(1)Lu12 cuboctahedra, edges with eight equivalent Lu(2)Lu8Th4 cuboctahedra, edges with sixteen equivalent Lu(1)Lu8Th4 cuboctahedra, faces with four equivalent Lu(2)Lu8Th4 cuboctahedra, faces with six equivalent Th(1)Lu12 cuboctahedra, and faces with eight equivalent Lu(1)Lu8Th4 cuboctahedra.