Materials Data on UAl7Fe5 by Materials Project

UFe5Al7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 4-coordinate geometry to ten Fe and ten Al atoms. There are a spread of U–Fe bond distances ranging from 3.09–3.37 Å. There are a spread of U–Al bond distances ranging from 2.88–3.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, three Fe, and seven Al atoms. There are one shorter (2.45 Å) and two longer (2.49 Å) Fe–Fe bond lengths. There are a spread of Fe–Al bond distances ranging from 2.47–2.66 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to two equivalent U, four equivalent Fe, and six Al atoms. There are a spread of Fe–Al bond distances ranging from 2.64–2.68 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one U, four equivalent Fe, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.84 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, six Fe, and three Al atoms. Both Al–Al bond lengths are 2.83 Å. In the third Al site, Al is bonded in a 10-coordinate geometry to one U, five Fe, and four Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–2.80 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.67 Å. In the fifth Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, five Fe, and five Al atoms.