Materials Data on YInCu by Materials Project

Abstract

YInCu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (3.00 Å) and one longer (3.08 Å) Y–Cu bond lengths. There are two shorter (3.20 Å) and four longer (3.33 Å) Y–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent In atoms. All Cu–In bond lengths are 2.73 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent In atoms. All Cu–In bond lengths are 2.85 Å. In is bonded in a 10-coordinate geometry to six equivalent Y and four Cu atoms.