Materials Data on U(Al10Cr)2 by Materials Project

Abstract

U(CrAl10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to four equivalent Cr and twelve equivalent Al atoms. All U–Cr bond lengths are 3.17 Å. All U–Al bond lengths are 3.16 Å. Cr is bonded in a 2-coordinate geometry to two equivalent U and twelve equivalent Al atoms. All Cr–Al bond lengths are 3.08 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to twelve Al atoms to form a mixture of distorted face, edge, and corner-sharing AlAl12 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.59–2.93 Å. In the second Al site, Al is bonded to twelve Al atoms to form a mixture of face, edge, and corner-sharing AlAl12 cuboctahedra. All Al–Al bond lengths are 2.91 Å. In the third Al site, Al is bonded to one U, two equivalent Cr, and nine Al atoms to form a mixture of distorted face, edge, and corner-sharing AlUAl9Cr2 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.63–3.02 Å.