Materials Data on LaMg6Co by Materials Project

Abstract

Mg6LaCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent La, and two equivalent Co atoms. There are a spread of Mg–Mg bond distances ranging from 2.94–3.43 Å. Both Mg–La bond lengths are 3.32 Å. There are one shorter (3.05 Å) and one longer (3.55 Å) Mg–Co bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. There are two shorter (3.12 Å) and four longer (3.17 Å) Mg–Mg bond lengths. Both Mg–Co bond lengths are 3.23 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg, two equivalent La, and two equivalent Co atoms. There are a spread of Mg–Mg bond distances ranging from 3.09–3.48 Å. There are one shorter (3.11 Å) and one longer (3.49 Å) Mg–La bond lengths. Both Mg–Co bond lengths are 3.07 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent La atoms. Both Mg–La bond lengths are 3.25 Å. La is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. Both La–Co bond lengths are 2.97 Å. Co is bonded in a 10-coordinate geometry to ten Mg and two equivalent La atoms.