Materials Data on Ho2In3Cu by Materials Project

Abstract

Ho2CuIn3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Ho–Cu bond lengths are 3.04 Å. There are a spread of Ho–In bond distances ranging from 3.16–3.67 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Ho–Cu bond lengths are 3.44 Å. There are a spread of Ho–In bond distances ranging from 3.16–3.67 Å. Cu is bonded in a 10-coordinate geometry to six Ho and four In atoms. There are three shorter (2.76 Å) and one longer (2.93 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Ho, three equivalent Cu, and one In atom. The In–In bond length is 3.23 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Ho and four In atoms. All In–In bond lengths are 2.86 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Ho, one Cu, and three equivalent In atoms.