Materials Data on La2MgAl3 by Materials Project

Abstract

MgLa2Al3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent La and six equivalent Al atoms to form distorted MgLa6Al6 cuboctahedra that share corners with six equivalent MgLa6Al6 cuboctahedra, corners with twelve equivalent AlLa6Mg2Al4 cuboctahedra, edges with six equivalent MgLa6Al6 cuboctahedra, and faces with eighteen equivalent AlLa6Mg2Al4 cuboctahedra. All Mg–La bond lengths are 3.46 Å. All Mg–Al bond lengths are 2.91 Å. La is bonded in a 12-coordinate geometry to three equivalent Mg, four equivalent La, and nine equivalent Al atoms. There are one shorter (3.40 Å) and three longer (3.65 Å) La–La bond lengths. There are six shorter (3.40 Å) and three longer (3.46 Å) La–Al bond lengths. Al is bonded to two equivalent Mg, six equivalent La, and four equivalent Al atoms to form AlLa6Mg2Al4 cuboctahedra that share corners with four equivalent MgLa6Al6 cuboctahedra, corners with fourteen equivalent AlLa6Mg2Al4 cuboctahedra, edges with six equivalent AlLa6Mg2Al4 cuboctahedra, faces with six equivalent MgLa6Al6 cuboctahedra, and faces with twelve equivalent AlLa6Mg2Al4 cuboctahedra. All Al–Al bond lengths are 2.94 Å.