LuY3 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to twelve equivalent Y(1) atoms to form LuY12 cuboctahedra that share corners with six equivalent Lu(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Lu4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Lu4 cuboctahedra, faces with eight equivalent Lu(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Lu4 cuboctahedra. Y(1) is bonded to four equivalent Lu(1) and eight equivalent Y(1) atoms to form YY8Lu4 cuboctahedra that share corners with four equivalent Lu(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Lu4 cuboctahedra, edges with six equivalent Lu(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Lu4 cuboctahedra, faces with four equivalent Lu(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Lu4 cuboctahedra.
LuY3 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to twelve equivalent Y(1) atoms to form LuY12 cuboctahedra that share corners with six equivalent Lu(1)Y12 cuboctahedra, corners with twelve equivalent Y(1)Y8Lu4 cuboctahedra, edges with eighteen equivalent Y(1)Y8Lu4 cuboctahedra, faces with eight equivalent Lu(1)Y12 cuboctahedra, and faces with twelve equivalent Y(1)Y8Lu4 cuboctahedra. There are six shorter (3.50 Å) and six longer (3.64 Å) Lu(1)-Y(1) bond lengths. Y(1) is bonded to four equivalent Lu(1) and eight equivalent Y(1) atoms to form YY8Lu4 cuboctahedra that share corners with four equivalent Lu(1)Y12 cuboctahedra, corners with fourteen equivalent Y(1)Y8Lu4 cuboctahedra, edges with six equivalent Lu(1)Y12 cuboctahedra, edges with twelve equivalent Y(1)Y8Lu4 cuboctahedra, faces with four equivalent Lu(1)Y12 cuboctahedra, and faces with sixteen equivalent Y(1)Y8Lu4 cuboctahedra. There are a spread of Y(1)-Y(1) bond distances ranging from 3.52-3.67 Å.