Materials Data on MgAl by Materials Project

Abstract

MgAl crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Al atoms to form MgMg6Al6 cuboctahedra that share corners with eighteen equivalent MgMg6Al6 cuboctahedra, edges with six equivalent MgMg6Al6 cuboctahedra, edges with twelve equivalent AlMg6Al6 cuboctahedra, faces with eight equivalent MgMg6Al6 cuboctahedra, and faces with twelve equivalent AlMg6Al6 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. All Mg–Al bond lengths are 3.02 Å. Al is bonded to six equivalent Mg and six equivalent Al atoms to form distorted AlMg6Al6 cuboctahedra that share corners with eighteen equivalent AlMg6Al6 cuboctahedra, edges with six equivalent AlMg6Al6 cuboctahedra, edges with twelve equivalent MgMg6Al6 cuboctahedra, faces with eight equivalent AlMg6Al6 cuboctahedra, and faces with twelve equivalent MgMg6Al6 cuboctahedra. All Al–Al bond lengths are 3.02 Å.