Materials Data on TiAl by Materials Project

Abstract

TiAl is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ti is bonded to four equivalent Ti and eight equivalent Al atoms to form TiTi4Al8 cuboctahedra that share corners with twelve equivalent TiTi4Al8 cuboctahedra, edges with eight equivalent TiTi4Al8 cuboctahedra, edges with sixteen equivalent AlTi8Al4 cuboctahedra, faces with eight equivalent AlTi8Al4 cuboctahedra, and faces with ten equivalent TiTi4Al8 cuboctahedra. All Ti–Ti bond lengths are 2.82 Å. All Ti–Al bond lengths are 2.85 Å. Al is bonded to eight equivalent Ti and four equivalent Al atoms to form AlTi8Al4 cuboctahedra that share corners with twelve equivalent AlTi8Al4 cuboctahedra, edges with eight equivalent AlTi8Al4 cuboctahedra, edges with sixteen equivalent TiTi4Al8 cuboctahedra, faces with eight equivalent TiTi4Al8 cuboctahedra, and faces with ten equivalent AlTi8Al4 cuboctahedra. All Al–Al bond lengths are 2.82 Å.