Materials Data on U(Al3Fe)3 by Materials Project

UFe3Al9 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six Fe and fourteen Al atoms. There are four shorter (3.36 Å) and two longer (3.37 Å) U–Fe bond lengths. There are a spread of U–Al bond distances ranging from 3.05–3.35 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to two equivalent U and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.53–2.71 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. Both Fe–Fe bond lengths are 2.53 Å. There are a spread of Fe–Al bond distances ranging from 2.50–2.65 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, three Fe, and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.62–2.91 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, three Fe, and six Al atoms. There are one shorter (2.72 Å) and one longer (2.75 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms.