Materials Data on MnAlFe2 by Materials Project

Abstract

Fe2MnAl crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded in a distorted body-centered cubic geometry to ten Fe and four equivalent Al atoms. There are four shorter (2.52 Å) and six longer (2.91 Å) Mn–Fe bond lengths. All Mn–Al bond lengths are 2.52 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to six equivalent Mn, four equivalent Fe, and four equivalent Al atoms. All Fe–Fe bond lengths are 2.52 Å. All Fe–Al bond lengths are 2.52 Å. In the second Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Fe, and six equivalent Al atoms. All Fe–Al bond lengths are 2.91 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Mn and ten Fe atoms.