Materials Data on La3Mg by Materials Project

Abstract

MgLa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent La atoms to form MgLa12 cuboctahedra that share corners with six equivalent MgLa12 cuboctahedra, corners with twelve equivalent LaLa8Mg4 cuboctahedra, edges with eighteen equivalent LaLa8Mg4 cuboctahedra, faces with eight equivalent MgLa12 cuboctahedra, and faces with twelve equivalent LaLa8Mg4 cuboctahedra. There are six shorter (3.51 Å) and six longer (3.67 Å) Mg–La bond lengths. La is bonded to four equivalent Mg and eight equivalent La atoms to form distorted LaLa8Mg4 cuboctahedra that share corners with four equivalent MgLa12 cuboctahedra, corners with fourteen equivalent LaLa8Mg4 cuboctahedra, edges with six equivalent MgLa12 cuboctahedra, edges with twelve equivalent LaLa8Mg4 cuboctahedra, faces with four equivalent MgLa12 cuboctahedra, and faces with sixteen equivalent LaLa8Mg4 cuboctahedra. There are a spread of La–La bond distances ranging from 3.47–3.86 Å.