Materials Data on Sm2In3Cu by Materials Project

Abstract

Sm2CuIn3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Sm–Cu bond lengths are 3.07 Å. There are a spread of Sm–In bond distances ranging from 3.18–3.70 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Sm–Cu bond lengths are 3.46 Å. There are a spread of Sm–In bond distances ranging from 3.18–3.71 Å. Cu is bonded in a 10-coordinate geometry to six Sm and four In atoms. There are three shorter (2.78 Å) and one longer (2.99 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 Sm, three equivalent Cu, and one In atom. The In–In bond length is 3.29 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Sm and four In atoms. All In–In bond lengths are 2.88 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Sm, one Cu, and three equivalent In atoms.