Materials Data on La5Al3Ni2 by Materials Project

Abstract

La5Ni2Al3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to two equivalent Ni and five Al atoms. Both La–Ni bond lengths are 2.96 Å. There are a spread of La–Al bond distances ranging from 3.24–3.46 Å. In the second La site, La is bonded in a 3-coordinate geometry to five Al atoms. There are a spread of La–Al bond distances ranging from 3.25–3.71 Å. In the third La site, La is bonded in a 2-coordinate geometry to two equivalent Ni and four equivalent Al atoms. Both La–Ni bond lengths are 2.77 Å. All La–Al bond lengths are 3.44 Å. Ni is bonded in a 6-coordinate geometry to three La and three Al atoms. There are one shorter (2.46 Å) and two longer (2.49 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to six La and two equivalent Ni atoms. In the second Al site, Al is bonded in a 5-coordinate geometry to nine La and two equivalent Ni atoms.