Zr6Ru7Al16 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Ru(1), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Zr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing RuZr4Al8 cuboctahedra. In the second Ru site, Ru(2) 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 Zr(1), one Ru(2), and three equivalent Ru(1) atoms. In the second Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Zr(1) and three equivalent Ru(1) atoms.
Zr6Ru7Al16 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Ru(1), four equivalent Al(1), and four equivalent Al(2) atoms. All Zr(1)-Ru(1) bond lengths are 3.12 Å. All Zr(1)-Al(1) bond lengths are 2.91 Å. All Zr(1)-Al(2) bond lengths are 2.98 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Zr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form a mixture of distorted corner and face-sharing RuZr4Al8 cuboctahedra. All Ru(1)-Al(1) bond lengths are 2.51 Å. All Ru(1)-Al(2) bond lengths are 2.70 Å. In the second Ru site, Ru(2) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. All Ru(2)-Al(2) bond lengths are 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 4-coordinate geometry to three equivalent Zr(1), one Ru(2), and three equivalent Ru(1) atoms. In the second Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Zr(1) and three equivalent Ru(1) atoms.