Al8Mg3FeSi6 is delta Molybdenum Boride-derived structured and crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 7-coordinate geometry to one Al(3), four equivalent Al(1), and two equivalent Si(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Al(2) and six equivalent Si(1) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent Al(2), and three equivalent Si(1) atoms. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Fe(1), four equivalent Al(1), and four equivalent Si(1) atoms. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Si(1) atoms. Si(1) is bonded in a 7-coordinate geometry to one Mg(1), one Fe(1), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms.
Al8Mg3FeSi6 is delta Molybdenum Boride-derived structured and crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 7-coordinate geometry to one Al(3), four equivalent Al(1), and two equivalent Si(1) atoms. The Mg(1)-Al(3) bond length is 2.89 Å. All Mg(1)-Al(1) bond lengths are 2.97 Å. Both Mg(1)-Si(1) bond lengths are 3.02 Å. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Al(2) and six equivalent Si(1) atoms. All Fe(1)-Al(2) bond lengths are 2.41 Å. All Fe(1)-Si(1) bond lengths are 2.42 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to three equivalent Mg(1), three equivalent Al(2), and three equivalent Si(1) atoms. All Al(1)-Al(2) bond lengths are 2.72 Å. All Al(1)-Si(1) bond lengths are 2.61 Å. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to one Fe(1), four equivalent Al(1), and four equivalent Si(1) atoms. All Al(2)-Si(1) bond lengths are 2.78 Å. In the third Al site, Al(3) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Si(1) atoms. All Al(3)-Si(1) bond lengths are 2.62 Å. Si(1) is bonded in a 7-coordinate geometry to one Mg(1), one Fe(1), one Al(3), two equivalent Al(1), and two equivalent Al(2) atoms.