Materials Data on Mg13Al14 by Materials Project

Abstract

Mg13Al14 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to fourteen Al atoms. There are eight shorter (3.02 Å) and six longer (3.06 Å) Mg–Al bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four Al atoms. All Mg–Al bond lengths are 3.04 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted body-centered cubic geometry to four Mg and four Al atoms. There are three shorter (2.79 Å) and one longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a distorted q6 geometry to five Mg and four equivalent Al atoms.