Materials Data on LaMg by Materials Project

Abstract

MgLa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to eight La atoms. There are a spread of Mg–La bond distances ranging from 3.35–3.51 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg and eight La atoms. Both Mg–Mg bond lengths are 3.13 Å. There are a spread of Mg–La bond distances ranging from 3.47–3.69 Å. In the third Mg site, Mg is bonded in a body-centered cubic geometry to two equivalent Mg and six La atoms. There are four shorter (3.43 Å) and two longer (3.45 Å) Mg–La bond lengths. There are three inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to eight Mg and two equivalent La atoms. Both La–La bond lengths are 3.40 Å. In the second La site, La is bonded in a 8-coordinate geometry to six Mg and two equivalent La atoms. In the third La site, La is bonded in a distorted body-centered cubic geometry to eight Mg atoms.