Materials Data on CeAl5Ni2 by Materials Project

Abstract

CeNi2Al5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ni and fourteen Al atoms. All Ce–Ni bond lengths are 3.16 Å. There are a spread of Ce–Al bond distances ranging from 3.30–3.53 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.30–2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Ce and two equivalent Ni atoms. In the second Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce and three equivalent Ni atoms.