Materials Data on La(Mg2Al)4 by Materials Project

Abstract

La(Mg2Al)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg, two equivalent La, and four equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.20 Å. Both Mg–La bond lengths are 3.61 Å. All Mg–Al bond lengths are 2.88 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to five Mg, one La, and four equivalent Al atoms. The Mg–Mg bond length is 2.99 Å. The Mg–La bond length is 3.43 Å. All Mg–Al bond lengths are 3.02 Å. La is bonded in a 4-coordinate geometry to twelve Mg and eight equivalent Al atoms. All La–Al bond lengths are 3.78 Å. Al is bonded in a 12-coordinate geometry to eight Mg, two equivalent La, and two equivalent Al atoms. Both Al–Al bond lengths are 2.92 Å.