Hf6NiAl2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to two equivalent Ni(1) and two equivalent Al(1) atoms. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Al(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. Al(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms.
Hf6NiAl2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 2-coordinate geometry to two equivalent Ni(1) and two equivalent Al(1) atoms. Both Hf(1)-Ni(1) bond lengths are 2.58 Å. Both Hf(1)-Al(1) bond lengths are 2.96 Å. In the second Hf site, Hf(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Al(1) atoms. The Hf(2)-Ni(1) bond length is 3.12 Å. All Hf(2)-Al(1) bond lengths are 2.90 Å. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Hf(2) and six equivalent Hf(1) atoms. Al(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Hf(2) atoms.