Materials Data on YbAl3Au by Materials Project

Abstract

YbAuAl3 crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two YbAuAl3 sheets oriented in the (0, 0, 1) direction. Yb is bonded in a 8-coordinate geometry to four equivalent Au and four equivalent Al atoms. All Yb–Au bond lengths are 3.17 Å. All Yb–Al bond lengths are 3.20 Å. Au is bonded in a 9-coordinate geometry to four equivalent Yb and five Al atoms. There are one shorter (2.55 Å) and four longer (2.67 Å) Au–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to two equivalent Au atoms. In the second Al site, Al is bonded in a distorted single-bond geometry to four equivalent Yb and one Au atom.