Materials Data on UCu4Au by Materials Project

Abstract

UCu4Au is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to four equivalent Au and twelve equivalent Cu atoms. All U–Au bond lengths are 3.09 Å. All U–Cu bond lengths are 2.97 Å. Au is bonded in a 4-coordinate geometry to four equivalent U and twelve equivalent Cu atoms. All Au–Cu bond lengths are 2.96 Å. Cu is bonded to three equivalent U, three equivalent Au, and six equivalent Cu atoms to form a mixture of corner, edge, and face-sharing CuU3Cu6Au3 cuboctahedra. There are three shorter (2.51 Å) and three longer (2.55 Å) Cu–Cu bond lengths.