Materials Data on TiAl2Zn by Materials Project

Abstract

TiZnAl2 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 Zn and eight equivalent Al atoms to form TiAl8Zn4 cuboctahedra that share corners with twelve equivalent TiAl8Zn4 cuboctahedra, edges with eight equivalent ZnTi4Al8 cuboctahedra, edges with sixteen equivalent AlTi4Al4Zn4 cuboctahedra, faces with four equivalent ZnTi4Al8 cuboctahedra, faces with six equivalent TiAl8Zn4 cuboctahedra, and faces with eight equivalent AlTi4Al4Zn4 cuboctahedra. All Ti–Zn bond lengths are 2.81 Å. All Ti–Al bond lengths are 2.78 Å. Zn is bonded to four equivalent Ti and eight equivalent Al atoms to form ZnTi4Al8 cuboctahedra that share corners with twelve equivalent ZnTi4Al8 cuboctahedra, edges with eight equivalent TiAl8Zn4 cuboctahedra, edges with sixteen equivalent AlTi4Al4Zn4 cuboctahedra, faces with four equivalent TiAl8Zn4 cuboctahedra, faces with six equivalent ZnTi4Al8 cuboctahedra, and faces with eight equivalent AlTi4Al4Zn4 cuboctahedra. All Zn–Al bond lengths are 2.78 Å. Al is bonded to four equivalent Ti, four equivalent Zn, and four equivalent Al atoms to form AlTi4Al4Zn4 cuboctahedra that share corners with twelve equivalent AlTi4Al4Zn4 cuboctahedra, edges with eight equivalent TiAl8Zn4 cuboctahedra, edges with eight equivalent ZnTi4Al8 cuboctahedra, edges with eight equivalent AlTi4Al4Zn4 cuboctahedra, faces with four equivalent TiAl8Zn4 cuboctahedra, faces with four equivalent ZnTi4Al8 cuboctahedra, and faces with ten equivalent AlTi4Al4Zn4 cuboctahedra. All Al–Al bond lengths are 2.81 Å.