Lu3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 12-coordinate geometry to three equivalent Ni(3) and nine equivalent Ni(1) atoms. In the second Lu site, Lu(2) is bonded in a 6-coordinate geometry to three equivalent Ni(2), twelve equivalent Ni(1), and three equivalent Al(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Lu(2), three equivalent Lu(1), one Ni(2), one Ni(3), four equivalent Ni(1), and one Al(1) atom to form distorted NiLu5AlNi6 cuboctahedra that share corners with two equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, corners with two equivalent Ni(3)Lu6Ni6 cuboctahedra, corners with two equivalent Al(1)Lu3Ni9 cuboctahedra, corners with fifteen equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with eight equivalent Ni(1)Lu5AlNi6 cuboctahedra, faces with three equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, faces with three equivalent Ni(3)Lu6Ni6 cuboctahedra, faces with three equivalent Al(1)Lu3Ni9 cuboctahedra, and faces with eleven equivalent Ni(1)Lu5AlNi6 cuboctahedra. In the second Ni site, Ni(2) is bonded to three equivalent Lu(2), six equivalent Ni(1), and three equivalent Al(1) atoms to form NiLu3Al3Ni6 cuboctahedra that share corners with three equivalent Al(1)Lu3Ni9 cuboctahedra, corners with twelve equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with six equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, faces with two equivalent Ni(3)Lu6Ni6 cuboctahedra, faces with three equivalent Al(1)Lu3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(1)Lu5AlNi6 cuboctahedra. In the third Ni site, Ni(3) is bonded to six equivalent Lu(1) and six equivalent Ni(1) atoms to form NiLu6Ni6 cuboctahedra that share corners with six equivalent Al(1)Lu3Ni9 cuboctahedra, corners with twelve equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with six equivalent Ni(3)Lu6Ni6 cuboctahedra, faces with two equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Lu5AlNi6 cuboctahedra. Al(1) is bonded to three equivalent Lu(2), three equivalent Ni(2), and six equivalent Ni(1) atoms to form distorted AlLu3Ni9 cuboctahedra that share corners with three equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, corners with six equivalent Ni(3)Lu6Ni6 cuboctahedra, corners with twelve equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with six equivalent Al(1)Lu3Ni9 cuboctahedra, faces with three equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Lu5AlNi6 cuboctahedra.
Lu3Ni8Al crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 12-coordinate geometry to three equivalent Ni(3) and nine equivalent Ni(1) atoms. All Lu(1)-Ni(3) bond lengths are 2.94 Å. There are six shorter (2.81 Å) and three longer (3.00 Å) Lu(1)-Ni(1) bond lengths. In the second Lu site, Lu(2) is bonded in a 6-coordinate geometry to three equivalent Ni(2), twelve equivalent Ni(1), and three equivalent Al(1) atoms. All Lu(2)-Ni(2) bond lengths are 2.87 Å. All Lu(2)-Ni(1) bond lengths are 3.17 Å. All Lu(2)-Al(1) bond lengths are 2.87 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Lu(2), three equivalent Lu(1), one Ni(2), one Ni(3), four equivalent Ni(1), and one Al(1) atom to form distorted NiLu5AlNi6 cuboctahedra that share corners with two equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, corners with two equivalent Ni(3)Lu6Ni6 cuboctahedra, corners with two equivalent Al(1)Lu3Ni9 cuboctahedra, corners with fifteen equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with eight equivalent Ni(1)Lu5AlNi6 cuboctahedra, faces with three equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, faces with three equivalent Ni(3)Lu6Ni6 cuboctahedra, faces with three equivalent Al(1)Lu3Ni9 cuboctahedra, and faces with eleven equivalent Ni(1)Lu5AlNi6 cuboctahedra. The Ni(1)-Ni(2) bond length is 2.44 Å. The Ni(1)-Ni(3) bond length is 2.44 Å. All Ni(1)-Ni(1) bond lengths are 2.48 Å. The Ni(1)-Al(1) bond length is 2.44 Å. In the second Ni site, Ni(2) is bonded to three equivalent Lu(2), six equivalent Ni(1), and three equivalent Al(1) atoms to form NiLu3Al3Ni6 cuboctahedra that share corners with three equivalent Al(1)Lu3Ni9 cuboctahedra, corners with twelve equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with six equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, faces with two equivalent Ni(3)Lu6Ni6 cuboctahedra, faces with three equivalent Al(1)Lu3Ni9 cuboctahedra, and faces with eighteen equivalent Ni(1)Lu5AlNi6 cuboctahedra. All Ni(2)-Al(1) bond lengths are 2.87 Å. In the third Ni site, Ni(3) is bonded to six equivalent Lu(1) and six equivalent Ni(1) atoms to form NiLu6Ni6 cuboctahedra that share corners with six equivalent Al(1)Lu3Ni9 cuboctahedra, corners with twelve equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with six equivalent Ni(3)Lu6Ni6 cuboctahedra, faces with two equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Lu5AlNi6 cuboctahedra. Al(1) is bonded to three equivalent Lu(2), three equivalent Ni(2), and six equivalent Ni(1) atoms to form distorted AlLu3Ni9 cuboctahedra that share corners with three equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, corners with six equivalent Ni(3)Lu6Ni6 cuboctahedra, corners with twelve equivalent Ni(1)Lu5AlNi6 cuboctahedra, edges with six equivalent Al(1)Lu3Ni9 cuboctahedra, faces with three equivalent Ni(2)Lu3Al3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(1)Lu5AlNi6 cuboctahedra.