Materials Data on UGa2Cu3 by Materials Project

Abstract

UCu3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to twelve Cu and six equivalent Ga atoms. There are eight shorter (3.30 Å) and four longer (3.33 Å) U–Cu bond lengths. There are two shorter (3.02 Å) and four longer (3.05 Å) U–Ga bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent U, four equivalent Cu, and four equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing CuU4Ga4Cu4 cuboctahedra. All Cu–Cu bond lengths are 2.62 Å. All Cu–Ga bond lengths are 2.51 Å. In the second Cu site, Cu is bonded to four equivalent U, four Cu, and four equivalent Ga atoms to form a mixture of distorted edge, corner, and face-sharing CuU4Ga4Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.66 Å. All Cu–Ga bond lengths are 2.53 Å. Ga is bonded in a 12-coordinate geometry to three equivalent U and six Cu atoms.