ThLu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to twelve equivalent Lu(1) atoms to form ThLu12 cuboctahedra that share corners with six equivalent Th(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Lu8Th4 cuboctahedra, edges with eighteen equivalent Lu(1)Lu8Th4 cuboctahedra, faces with eight equivalent Th(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Lu8Th4 cuboctahedra. Lu(1) is bonded to four equivalent Th(1) and eight equivalent Lu(1) atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent Th(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Lu8Th4 cuboctahedra, edges with six equivalent Th(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Lu8Th4 cuboctahedra, faces with four equivalent Th(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Lu8Th4 cuboctahedra.
ThLu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Th(1) is bonded to twelve equivalent Lu(1) atoms to form ThLu12 cuboctahedra that share corners with six equivalent Th(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Lu8Th4 cuboctahedra, edges with eighteen equivalent Lu(1)Lu8Th4 cuboctahedra, faces with eight equivalent Th(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Lu8Th4 cuboctahedra. There are six shorter (3.49 Å) and six longer (3.54 Å) Th(1)-Lu(1) bond lengths. Lu(1) is bonded to four equivalent Th(1) and eight equivalent Lu(1) atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent Th(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Lu8Th4 cuboctahedra, edges with six equivalent Th(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Lu8Th4 cuboctahedra, faces with four equivalent Th(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Lu8Th4 cuboctahedra. There are a spread of Lu(1)-Lu(1) bond distances ranging from 3.48-3.55 Å.