LuNiAl4 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Al(2), and six equivalent Al(3) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to four equivalent Lu(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Al site, Al(2) is bonded in a 1-coordinate geometry to three equivalent Lu(1), one Ni(1), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Lu(1), three equivalent Ni(1), and one Al(1) atom.
LuNiAl4 crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(2), four equivalent Al(1), and six equivalent Al(3) atoms. Both Lu(1)-Ni(1) bond lengths are 3.04 Å. There is one shorter (2.95 Å) and two longer (3.36 Å) Lu(1)-Al(2) bond lengths. All Lu(1)-Al(1) bond lengths are 3.17 Å. There are four shorter (3.00 Å) and two longer (3.17 Å) Lu(1)-Al(3) bond lengths. Ni(1) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Al(2), and six equivalent Al(3) atoms. The Ni(1)-Al(2) bond length is 2.30 Å. There are two shorter (2.37 Å) and four longer (2.46 Å) Ni(1)-Al(3) bond lengths. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted q6 geometry to four equivalent Lu(1), two equivalent Al(3), and four equivalent Al(2) atoms. Both Al(1)-Al(3) bond lengths are 2.85 Å. All Al(1)-Al(2) bond lengths are 2.82 Å. In the second Al site, Al(2) is bonded in a 1-coordinate geometry to three equivalent Lu(1), one Ni(1), and four equivalent Al(1) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Lu(1), three equivalent Ni(1), and one Al(1) atom.