Materials Data on La3Mg by Materials Project

Abstract

MgLa3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.45–3.77 Å. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Mg and eight La atoms to form a mixture of distorted edge, corner, and face-sharing LaLa8Mg4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.53–3.73 Å. In the second La site, La is bonded to three equivalent Mg and nine La atoms to form distorted LaLa9Mg3 cuboctahedra that share corners with eighteen equivalent LaLa9Mg3 cuboctahedra, edges with twelve LaLa8Mg4 cuboctahedra, and faces with fourteen LaLa8Mg4 cuboctahedra. There are four shorter (3.66 Å) and two longer (3.71 Å) La–La bond lengths.