Materials Data on MgAl by Materials Project

Abstract

MgAl is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Al atoms to form MgMg4Al8 cuboctahedra that share corners with twelve equivalent MgMg4Al8 cuboctahedra, edges with eight equivalent MgMg4Al8 cuboctahedra, edges with sixteen equivalent AlMg8Al4 cuboctahedra, faces with eight equivalent AlMg8Al4 cuboctahedra, and faces with ten equivalent MgMg4Al8 cuboctahedra. All Mg–Mg bond lengths are 3.01 Å. All Mg–Al bond lengths are 3.00 Å. Al is bonded to eight equivalent Mg and four equivalent Al atoms to form distorted AlMg8Al4 cuboctahedra that share corners with twelve equivalent AlMg8Al4 cuboctahedra, edges with eight equivalent AlMg8Al4 cuboctahedra, edges with sixteen equivalent MgMg4Al8 cuboctahedra, faces with eight equivalent MgMg4Al8 cuboctahedra, and faces with ten equivalent AlMg8Al4 cuboctahedra. All Al–Al bond lengths are 3.01 Å.