Materials Data on Al8Fe5 by Materials Project

Abstract

Fe5Al8 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to three equivalent Fe and nine Al atoms. All Fe–Fe bond lengths are 2.69 Å. There are six shorter (2.54 Å) and three longer (2.59 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to three Fe and ten Al atoms. The Fe–Fe bond length is 2.47 Å. There are a spread of Fe–Al bond distances ranging from 2.52–2.83 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to six Fe and six Al atoms. There are three shorter (2.63 Å) and three longer (2.64 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to six Fe and five Al atoms. All Al–Al bond lengths are 2.63 Å.