TbNiAl4 crystallizes in the orthorhombic Cmcm space group. Tb(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(3), four equivalent Al(2), and six equivalent Al(1) atoms. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Tb(1), one Al(3), and six equivalent Al(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Tb(1), three equivalent Ni(1), and one Al(2) atom. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Tb(1), two equivalent Al(1), and four equivalent Al(3) atoms. In the third Al site, Al(3) is bonded in a 1-coordinate geometry to three equivalent Tb(1), one Ni(1), and four equivalent Al(2) atoms.
TbNiAl4 crystallizes in the orthorhombic Cmcm space group. Tb(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), three equivalent Al(3), four equivalent Al(2), and six equivalent Al(1) atoms. Both Tb(1)-Ni(1) bond lengths are 3.15 Å. There is one shorter (2.99 Å) and two longer (3.33 Å) Tb(1)-Al(3) bond lengths. All Tb(1)-Al(2) bond lengths are 3.17 Å. There are four shorter (3.05 Å) and two longer (3.24 Å) Tb(1)-Al(1) bond lengths. Ni(1) is bonded in a 7-coordinate geometry to two equivalent Tb(1), one Al(3), and six equivalent Al(1) atoms. The Ni(1)-Al(3) bond length is 2.29 Å. There are two shorter (2.37 Å) and four longer (2.47 Å) Ni(1)-Al(1) bond lengths. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Tb(1), three equivalent Ni(1), and one Al(2) atom. The Al(1)-Al(2) bond length is 2.94 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Tb(1), two equivalent Al(1), and four equivalent Al(3) atoms. All Al(2)-Al(3) bond lengths are 2.86 Å. In the third Al site, Al(3) is bonded in a 1-coordinate geometry to three equivalent Tb(1), one Ni(1), and four equivalent Al(2) atoms.