Materials Data on UAl7GaFe4 by Materials Project
UFe4GaAl7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eight Fe, one Ga, and eleven Al atoms. There are a spread of U–Fe bond distances ranging from 3.11–3.17 Å. The U–Ga bond length is 3.09 Å. There are a spread of U–Al bond distances ranging from 3.10–3.37 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, two Fe, one Ga, and seven Al atoms. There are one shorter (2.49 Å) and one longer (2.58 Å) Fe–Fe bond lengths. The Fe–Ga bond length is 2.92 Å. There are a spread of Fe–Al bond distances ranging from 2.56–2.90 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Fe, two equivalent Ga, and six Al atoms. Both Fe–Ga bond lengths are 2.87 Å. There are four shorter (2.57 Å) and two longer (2.88 Å) Fe–Al bond lengths. In the third Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent U, two equivalent Fe, and eight Al atoms. There are a spread of Fe–Al bond distances ranging from 2.55–2.86 Å. Ga is bonded in a 1-coordinate geometry to one U, four Fe, and nine Al atoms. There are a spread of Ga–Al bond distances ranging from 2.52–3.15 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to two equivalent U, four Fe, one Ga, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.55–2.70 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to one U, four Fe, two equivalent Ga, and five Al atoms. The Al–Al bond length is 2.54 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one U, four Fe, one Ga, and four equivalent Al atoms.