Materials Data on Pr2Ga3Cu by Materials Project

Abstract

Pr2CuGa3 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 Ga atoms. All Pr–Cu bond lengths are 3.03 Å. There are a spread of Pr–Ga bond distances ranging from 3.10–3.51 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Pr–Cu bond lengths are 3.29 Å. There are six shorter (3.09 Å) and three longer (3.50 Å) Pr–Ga bond lengths. Cu is bonded in a 9-coordinate geometry to six Pr and three equivalent Ga atoms. All Cu–Ga bond lengths are 2.60 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Pr and three equivalent Cu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Pr and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.67 Å. In the third Ga site, Ga is bonded in a 6-coordinate geometry to six Pr and three equivalent Ga atoms.