Materials Data on LaAl5Ni2 by Materials Project

Abstract

LaNi2Al5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Ni and fourteen Al atoms. All La–Ni bond lengths are 3.23 Å. There are eight shorter (3.36 Å) and six longer (3.54 Å) La–Al bond lengths. Ni is bonded in a 9-coordinate geometry to two equivalent La and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.29–2.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent La and two equivalent Ni atoms. In the second Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent La and three equivalent Ni atoms.