Materials Data on Ce(Al4Fe)2 by Materials Project
CeFe2Al8 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to thirteen Al atoms. There are a spread of Ce–Al bond distances ranging from 3.13–3.33 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.34–2.58 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.33–2.57 Å. There are nine inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–3.09 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.82 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to four equivalent Fe and four Al atoms. Both Al–Al bond lengths are 2.66 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.68–3.00 Å. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and six Al atoms. Both Al–Al bond lengths are 2.84 Å. In the sixth Al site, Al is bonded in a 1-coordinate geometry to three Fe and four Al atoms. Both Al–Al bond lengths are 3.02 Å. In the seventh Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two Fe, and eight Al atoms. In the eighth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms. Both Al–Al bond lengths are 2.90 Å. In the ninth Al site, Al is bonded in a distorted linear geometry to two equivalent Ce, two equivalent Fe, and eight Al atoms.