Materials Data on TiAl by Materials Project

Abstract

TiAl is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ti is bonded to six equivalent Ti and six equivalent Al atoms to form TiTi6Al6 cuboctahedra that share corners with eighteen equivalent TiTi6Al6 cuboctahedra, edges with six equivalent TiTi6Al6 cuboctahedra, edges with twelve equivalent AlTi6Al6 cuboctahedra, faces with eight equivalent TiTi6Al6 cuboctahedra, and faces with twelve equivalent AlTi6Al6 cuboctahedra. All Ti–Ti bond lengths are 2.87 Å. All Ti–Al bond lengths are 2.87 Å. Al is bonded to six equivalent Ti and six equivalent Al atoms to form AlTi6Al6 cuboctahedra that share corners with eighteen equivalent AlTi6Al6 cuboctahedra, edges with six equivalent AlTi6Al6 cuboctahedra, edges with twelve equivalent TiTi6Al6 cuboctahedra, faces with eight equivalent AlTi6Al6 cuboctahedra, and faces with twelve equivalent TiTi6Al6 cuboctahedra. All Al–Al bond lengths are 2.87 Å.