Materials Data on Ce2Ga3Cu by Materials Project

Abstract

Ce2CuGa3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ce–Cu bond lengths are 2.98 Å. There are a spread of Ce–Ga bond distances ranging from 3.07–3.38 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ce–Cu bond lengths are 3.24 Å. There are a spread of Ce–Ga bond distances ranging from 3.06–3.39 Å. Cu is bonded in a 10-coordinate geometry to six Ce and four Ga atoms. There are three shorter (2.59 Å) and one longer (3.19 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Cu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.63 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ce, one Cu, and three equivalent Ga atoms.