Materials Data on Pr2In3Cu by Materials Project

Abstract

Pr2CuIn3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Pr–Cu bond lengths are 3.15 Å. There are a spread of Pr–In bond distances ranging from 3.26–3.77 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to three equivalent Cu and nine In atoms. All Pr–Cu bond lengths are 3.52 Å. There are a spread of Pr–In bond distances ranging from 3.25–3.77 Å. Cu is bonded in a 10-coordinate geometry to six Pr and four In atoms. There are three shorter (2.82 Å) and one longer (3.16 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Pr, three equivalent Cu, and one In atom. The In–In bond length is 3.40 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Pr and four In atoms. All In–In bond lengths are 2.92 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Pr, one Cu, and three equivalent In atoms.