Materials Data on LaAl3Au by Materials Project

Abstract

LaAuAl3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Au and twelve Al atoms. All La–Au bond lengths are 3.45 Å. There are a spread of La–Al bond distances ranging from 3.25–3.62 Å. Au is bonded in a 5-coordinate geometry to four equivalent La and five Al atoms. There are one shorter (2.52 Å) and four longer (2.57 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to four equivalent La and one Au atom. In the second Al site, Al is bonded in a distorted bent 120 degrees geometry to four equivalent La and two equivalent Au atoms.