Materials Data on Al12Fe7 by Materials Project
Fe7Al12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 8-coordinate geometry to one Fe and eight Al atoms. The Fe–Fe bond length is 2.74 Å. There are a spread of Fe–Al bond distances ranging from 2.44–2.56 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to three Fe and eight Al atoms. There are a spread of Fe–Fe bond distances ranging from 2.59–2.70 Å. There are a spread of Fe–Al bond distances ranging from 2.47–2.63 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to eight Al atoms. There are a spread of Fe–Al bond distances ranging from 2.46–2.59 Å. In the fourth Fe site, Fe is bonded in a 11-coordinate geometry to four Fe and seven Al atoms. The Fe–Fe bond length is 2.44 Å. There are a spread of Fe–Al bond distances ranging from 2.46–2.68 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the second Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the third Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Fe atoms. In the fifth Al site, Al is bonded in a 5-coordinate geometry to five Fe atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to three Fe atoms.