Materials Data on LuInAu by Materials Project

Abstract

LuAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.06 Å) and one longer (3.11 Å) Lu–Au bond lengths. There are two shorter (3.24 Å) and four longer (3.36 Å) Lu–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent In atoms. All Au–In bond lengths are 2.82 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent In atoms. All Au–In bond lengths are 2.88 Å. In is bonded in a 4-coordinate geometry to six equivalent Lu and four Au atoms.