Zr10Al6O crystallizes in the trigonal P-31m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted single-bond geometry to five equivalent Al(1) and one O(1) atom. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(3) and six equivalent Al(1) atoms. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to two equivalent Zr(2) and six equivalent Al(1) atoms. Al(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), and five equivalent Zr(1) atoms. O(1) is bonded in an octahedral geometry to six equivalent Zr(1) atoms.
Zr10Al6O crystallizes in the trigonal P-31m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted single-bond geometry to five equivalent Al(1) and one O(1) atom. There are a spread of Zr(1)-Al(1) bond distances ranging from 2.87-3.12 Å. The Zr(1)-O(1) bond length is 2.37 Å. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(3) and six equivalent Al(1) atoms. Both Zr(2)-Zr(3) bond lengths are 2.79 Å. All Zr(2)-Al(1) bond lengths are 2.90 Å. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to two equivalent Zr(2) and six equivalent Al(1) atoms. All Zr(3)-Al(1) bond lengths are 2.88 Å. Al(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), two equivalent Zr(3), and five equivalent Zr(1) atoms. O(1) is bonded in an octahedral geometry to six equivalent Zr(1) atoms.