Materials Data on La2Mg by Materials Project

Abstract

La2Mg crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded to ten La atoms to form distorted MgLa10 cuboctahedra that share corners with four equivalent MgLa10 cuboctahedra, corners with fourteen LaLa7Mg5 cuboctahedra, edges with six equivalent LaLa7Mg5 cuboctahedra, edges with ten equivalent MgLa10 cuboctahedra, faces with four equivalent MgLa10 cuboctahedra, and faces with fourteen LaLa7Mg5 cuboctahedra. There are a spread of Mg–La bond distances ranging from 3.53–3.61 Å. There are two inequivalent La sites. In the first La site, La is bonded to five equivalent Mg and seven La atoms to form LaLa7Mg5 cuboctahedra that share corners with seven equivalent MgLa10 cuboctahedra, corners with twelve equivalent LaLa7Mg5 cuboctahedra, edges with three equivalent MgLa10 cuboctahedra, edges with fourteen LaLa7Mg5 cuboctahedra, faces with seven equivalent MgLa10 cuboctahedra, and faces with twelve LaLa7Mg5 cuboctahedra. There are a spread of La–La bond distances ranging from 3.53–3.60 Å. In the second La site, La is bonded to five equivalent Mg and seven equivalent La atoms to form LaLa7Mg5 cuboctahedra that share corners with seven equivalent MgLa10 cuboctahedra, corners with twelve LaLa7Mg5 cuboctahedra, edges with three equivalent MgLa10 cuboctahedra, edges with fourteen LaLa7Mg5 cuboctahedra, faces with seven equivalent MgLa10 cuboctahedra, and faces with twelve equivalent LaLa7Mg5 cuboctahedra.