Materials Data on TiAl3 by Materials Project

Abstract

Al3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Al atoms to form TiAl12 cuboctahedra that share corners with twelve equivalent TiAl12 cuboctahedra, edges with twenty-four equivalent AlTi4Al8 cuboctahedra, faces with six equivalent TiAl12 cuboctahedra, and faces with twelve equivalent AlTi4Al8 cuboctahedra. All Ti–Al bond lengths are 2.81 Å. Al is bonded to four equivalent Ti and eight equivalent Al atoms to form AlTi4Al8 cuboctahedra that share corners with twelve equivalent AlTi4Al8 cuboctahedra, edges with eight equivalent TiAl12 cuboctahedra, edges with sixteen equivalent AlTi4Al8 cuboctahedra, faces with four equivalent TiAl12 cuboctahedra, and faces with fourteen equivalent AlTi4Al8 cuboctahedra. All Al–Al bond lengths are 2.81 Å.