Sc6Ir7Al16 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Ir(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to four equivalent Sc(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted face and corner-sharing IrSc4Al8 cuboctahedra. In the second Ir site, Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 4-coordinate geometry to three equivalent Sc(1), one Ir(1), and three equivalent Ir(2) atoms. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to three equivalent Sc(1) and three equivalent Ir(2) atoms.
Sc6Ir7Al16 crystallizes in the cubic Fm-3m space group. Sc(1) is bonded in a 12-coordinate geometry to four equivalent Ir(2), four equivalent Al(1), and four equivalent Al(2) atoms. All Sc(1)-Ir(2) bond lengths are 3.12 Å. All Sc(1)-Al(1) bond lengths are 2.95 Å. All Sc(1)-Al(2) bond lengths are 2.98 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(2) is bonded to four equivalent Sc(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted face and corner-sharing IrSc4Al8 cuboctahedra. All Ir(2)-Al(1) bond lengths are 2.51 Å. All Ir(2)-Al(2) bond lengths are 2.70 Å. In the second Ir site, Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. All Ir(1)-Al(2) bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 4-coordinate geometry to three equivalent Sc(1), one Ir(1), and three equivalent Ir(2) atoms. In the second Al site, Al(1) is bonded in a distorted trigonal planar geometry to three equivalent Sc(1) and three equivalent Ir(2) atoms.