Materials Data on Mg3Al9FeSi5 by Materials Project

Abstract

Al9FeMg3Si5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.78 Å) and four longer (2.87 Å) Mg–Si bond lengths. Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are six shorter (2.41 Å) and three longer (2.50 Å) Fe–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Fe and four equivalent Si atoms. All Al–Si bond lengths are 2.80 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to one Fe and three Si atoms. There are two shorter (2.54 Å) and one longer (2.74 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Mg and six Al atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Al atoms.