Materials Data on La3Mg by Materials Project

Abstract

MgLa3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Mg is bonded in a distorted q6 geometry to ten La atoms. There are a spread of Mg–La bond distances ranging from 3.50–3.70 Å. There are three inequivalent La sites. In the first La site, La is bonded to two equivalent Mg and ten La atoms to form a mixture of edge, face, and corner-sharing LaLa10Mg2 cuboctahedra. There are a spread of La–La bond distances ranging from 3.42–3.79 Å. In the second La site, La is bonded to four equivalent Mg and eight La atoms to form a mixture of distorted edge, face, and corner-sharing LaLa8Mg4 cuboctahedra. There are two shorter (3.70 Å) and two longer (3.79 Å) La–La bond lengths. In the third La site, La is bonded to four equivalent Mg and eight La atoms to form distorted LaLa8Mg4 cuboctahedra that share corners with ten equivalent LaLa8Mg4 cuboctahedra, edges with fourteen LaLa10Mg2 cuboctahedra, and faces with sixteen LaLa10Mg2 cuboctahedra. Both La–La bond lengths are 3.70 Å.