Lu3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Tl(1) atoms to form distorted LuLu8Tl4 cuboctahedra that share corners with four equivalent Tl(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with six equivalent Tl(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with four equivalent Tl(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Lu8Tl4 cuboctahedra. Tl(1) is bonded to twelve equivalent Lu(1) atoms to form TlLu12 cuboctahedra that share corners with six equivalent Tl(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with eighteen equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with eight equivalent Tl(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra.
Lu3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to eight equivalent Lu(1) and four equivalent Tl(1) atoms to form distorted LuLu8Tl4 cuboctahedra that share corners with four equivalent Tl(1)Lu12 cuboctahedra, corners with fourteen equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with six equivalent Tl(1)Lu12 cuboctahedra, edges with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with four equivalent Tl(1)Lu12 cuboctahedra, and faces with sixteen equivalent Lu(1)Lu8Tl4 cuboctahedra. There are two shorter (3.30 Å) and six longer (3.37 Å) Lu(1)-Lu(1) bond lengths. There are two shorter (3.33 Å) and two longer (3.35 Å) Lu(1)-Tl(1) bond lengths. Tl(1) is bonded to twelve equivalent Lu(1) atoms to form TlLu12 cuboctahedra that share corners with six equivalent Tl(1)Lu12 cuboctahedra, corners with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra, edges with eighteen equivalent Lu(1)Lu8Tl4 cuboctahedra, faces with eight equivalent Tl(1)Lu12 cuboctahedra, and faces with twelve equivalent Lu(1)Lu8Tl4 cuboctahedra.