Sc6Ni7Al16 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Ni(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded to four equivalent Sc(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing NiSc4Al8 cuboctahedra. In the second Ni site, Ni(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 12-coordinate geometry to three equivalent Sc(1), three equivalent Ni(2), three equivalent Al(1), and three equivalent Al(2) atoms. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Sc(1), one Ni(1), three equivalent Ni(2), three equivalent Al(1), and three equivalent Al(2) atoms.
Sc6Ni7Al16 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Ni(2), four equivalent Al(1), and four equivalent Al(2) atoms. All Sc(1)-Ni(2) bond lengths are 3.09 Å. All Sc(1)-Al(1) bond lengths are 3.02 Å. All Sc(1)-Al(2) bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded to four equivalent Sc(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing NiSc4Al8 cuboctahedra. All Ni(2)-Al(1) bond lengths are 2.66 Å. All Ni(2)-Al(2) bond lengths are 2.46 Å. In the second Ni site, Ni(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Ni(1)-Al(1) bond lengths are 2.50 Å. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 12-coordinate geometry to three equivalent Sc(1), three equivalent Ni(2), three equivalent Al(1), and three equivalent Al(2) atoms. All Al(2)-Al(1) bond lengths are 2.71 Å. All Al(2)-Al(2) bond lengths are 2.86 Å. In the second Al site, Al(1) is bonded in a 13-coordinate geometry to three equivalent Sc(1), one Ni(1), three equivalent Ni(2), three equivalent Al(1), and three equivalent Al(2) atoms. All Al(1)-Al(1) bond lengths are 2.88 Å.