Materials Data on UCu5 by Materials Project

Abstract

UCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.92 Å) and four longer (3.05 Å) U–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent U and twelve equivalent Cu atoms. All Cu–Cu bond lengths are 2.92 Å. In the second Cu site, Cu is bonded to three equivalent U and nine Cu atoms to form a mixture of distorted corner, edge, and face-sharing CuU3Cu9 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.52 Å) Cu–Cu bond lengths.