Materials Data on U(Al2Cu)4 by Materials Project

Abstract

UCu4Al8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U is bonded in a distorted square co-planar geometry to four equivalent Cu and sixteen Al atoms. All U–Cu bond lengths are 3.04 Å. There are eight shorter (3.33 Å) and eight longer (3.36 Å) U–Al bond lengths. Cu is bonded in a 10-coordinate geometry to one U, one Cu, and eight Al atoms. The Cu–Cu bond length is 2.62 Å. There are a spread of Cu–Al bond distances ranging from 2.70–2.91 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. There are four shorter (2.57 Å) and two longer (2.70 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.75 Å.