Materials Data on Er2In3Cu by Materials Project

Abstract

Er2CuIn3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Er–Cu bond lengths are 3.04 Å. There are a spread of Er–In bond distances ranging from 3.14–3.65 Å. In the second Er site, Er is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Er–Cu bond lengths are 3.41 Å. There are a spread of Er–In bond distances ranging from 3.14–3.65 Å. Cu is bonded in a 10-coordinate geometry to six Er and four In atoms. There are three shorter (2.76 Å) and one longer (2.91 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 Er, three equivalent Cu, and one In atom. The In–In bond length is 3.18 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Er 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 Er, one Cu, and three equivalent In atoms.