Materials Data on Al15Ni3Ge4 by Materials Project

Abstract

Al15Ge4Ni3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Ni is bonded in a body-centered cubic geometry to eight Al atoms. All Ni–Al bond lengths are 2.43 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted rectangular see-saw-like geometry to four Ge atoms. There are two shorter (2.66 Å) and two longer (2.73 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Ni and one Ge atom. The Al–Ge bond length is 2.54 Å. In the third Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Ni and one Ge atom. The Al–Ge bond length is 2.63 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Al atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six Al atoms.