Materials Data on Zr6Al2Ni by Materials Project

Zr6NiAl2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Ni and two equivalent Al atoms. Both Zr–Ni bond lengths are 2.63 Å. Both Zr–Al bond lengths are 3.01 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Al atoms. The Zr–Ni bond length is 3.20 Å. All Zr–Al bond lengths are 2.95 Å. Ni is bonded in a 6-coordinate geometry to nine Zr atoms. Al is bonded in a 9-coordinate geometry to nine Zr atoms.