Materials Data on UAl5Cu6 by Materials Project

Abstract

UCu6Al5 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to twelve Cu and ten Al atoms. There are a spread of U–Cu bond distances ranging from 3.13–3.57 Å. There are a spread of U–Al bond distances ranging from 3.19–3.30 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. All Cu–Cu bond lengths are 2.52 Å. There are a spread of Cu–Al bond distances ranging from 2.51–2.71 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent U, four Cu, and six Al atoms. There are one shorter (2.60 Å) and one longer (2.75 Å) Cu–Cu bond lengths. There are a spread of Cu–Al bond distances ranging from 2.52–2.81 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to two equivalent U, eight Cu, and four equivalent Al atoms. All Al–Al bond lengths are 2.85 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, seven Cu, and one Al atom.