Materials Data on TiAl2V by Materials Project

Abstract

TiVAl2 is alpha La-derived 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 four equivalent TiTi4Al8 cuboctahedra, corners with eight equivalent VAl8V4 cuboctahedra, edges with eight equivalent VAl8V4 cuboctahedra, edges with sixteen equivalent AlTi4Al4V4 cuboctahedra, faces with two equivalent VAl8V4 cuboctahedra, faces with eight equivalent TiTi4Al8 cuboctahedra, and faces with eight equivalent AlTi4Al4V4 cuboctahedra. All Ti–Ti bond lengths are 2.76 Å. All Ti–Al bond lengths are 2.86 Å. V is bonded to four equivalent V and eight equivalent Al atoms to form VAl8V4 cuboctahedra that share corners with four equivalent VAl8V4 cuboctahedra, corners with eight equivalent TiTi4Al8 cuboctahedra, edges with eight equivalent TiTi4Al8 cuboctahedra, edges with sixteen equivalent AlTi4Al4V4 cuboctahedra, faces with two equivalent TiTi4Al8 cuboctahedra, faces with eight equivalent VAl8V4 cuboctahedra, and faces with eight equivalent AlTi4Al4V4 cuboctahedra. All V–V bond lengths are 2.76 Å. All V–Al bond lengths are 2.74 Å. Al is bonded to four equivalent Ti, four equivalent V, and four equivalent Al atoms to form AlTi4Al4V4 cuboctahedra that share corners with twelve equivalent AlTi4Al4V4 cuboctahedra, edges with eight equivalent TiTi4Al8 cuboctahedra, edges with eight equivalent VAl8V4 cuboctahedra, edges with eight equivalent AlTi4Al4V4 cuboctahedra, faces with four equivalent TiTi4Al8 cuboctahedra, faces with four equivalent VAl8V4 cuboctahedra, and faces with ten equivalent AlTi4Al4V4 cuboctahedra. All Al–Al bond lengths are 2.76 Å.