Materials Data on LaMg2 by Materials Project

Abstract

Mg2La crystallizes in the monoclinic C2/m 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 nine Mg and three equivalent La atoms. There are a spread of Mg–Mg bond distances ranging from 3.21–3.55 Å. There are two shorter (3.48 Å) and one longer (3.65 Å) Mg–La bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent La atoms. There are one shorter (3.10 Å) and two longer (3.43 Å) Mg–Mg bond lengths. There are two shorter (3.43 Å) and two longer (3.58 Å) Mg–La bond lengths. La is bonded to seven Mg and five equivalent La atoms to form a mixture of face, edge, and corner-sharing LaLa5Mg7 cuboctahedra. There are a spread of La–La bond distances ranging from 3.39–3.45 Å.