Hf6Co7Al16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded to four equivalent Hf(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted face and corner-sharing CoHf4Al8 cuboctahedra. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Co(2), and three equivalent Al(1) atoms. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Co(1), three equivalent Co(2), three equivalent Al(1), and three equivalent Al(2) atoms.
Hf6Co7Al16 crystallizes in the cubic Fm-3m space group. Hf(1) is bonded in a 12-coordinate geometry to four equivalent Co(2), four equivalent Al(1), and four equivalent Al(2) atoms. All Hf(1)-Co(2) bond lengths are 3.08 Å. All Hf(1)-Al(1) bond lengths are 3.04 Å. All Hf(1)-Al(2) bond lengths are 2.81 Å. There are two inequivalent Co sites. In the first Co site, Co(2) is bonded to four equivalent Hf(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted face and corner-sharing CoHf4Al8 cuboctahedra. All Co(2)-Al(1) bond lengths are 2.65 Å. All Co(2)-Al(2) bond lengths are 2.45 Å. In the second Co site, Co(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Co(1)-Al(1) bond lengths are 2.46 Å. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 6-coordinate geometry to three equivalent Hf(1), three equivalent Co(2), and three equivalent Al(1) atoms. All Al(2)-Al(1) bond lengths are 2.72 Å. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Hf(1), one Co(1), three equivalent Co(2), three equivalent Al(1), and three equivalent Al(2) atoms. All Al(1)-Al(1) bond lengths are 2.84 Å.