Materials Data on HfAl2Zn by Materials Project

Abstract

HfZnAl2 is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Hf is bonded to four equivalent Zn and eight equivalent Al atoms to form HfAl8Zn4 cuboctahedra that share corners with twelve equivalent HfAl8Zn4 cuboctahedra, edges with eight equivalent ZnHf4Al8 cuboctahedra, edges with sixteen equivalent AlHf4Al4Zn4 cuboctahedra, faces with four equivalent ZnHf4Al8 cuboctahedra, faces with six equivalent HfAl8Zn4 cuboctahedra, and faces with eight equivalent AlHf4Al4Zn4 cuboctahedra. All Hf–Zn bond lengths are 2.88 Å. All Hf–Al bond lengths are 2.86 Å. Zn is bonded to four equivalent Hf and eight equivalent Al atoms to form ZnHf4Al8 cuboctahedra that share corners with twelve equivalent ZnHf4Al8 cuboctahedra, edges with eight equivalent HfAl8Zn4 cuboctahedra, edges with sixteen equivalent AlHf4Al4Zn4 cuboctahedra, faces with four equivalent HfAl8Zn4 cuboctahedra, faces with six equivalent ZnHf4Al8 cuboctahedra, and faces with eight equivalent AlHf4Al4Zn4 cuboctahedra. All Zn–Al bond lengths are 2.86 Å. Al is bonded to four equivalent Hf, four equivalent Zn, and four equivalent Al atoms to form AlHf4Al4Zn4 cuboctahedra that share corners with twelve equivalent AlHf4Al4Zn4 cuboctahedra, edges with eight equivalent HfAl8Zn4 cuboctahedra, edges with eight equivalent ZnHf4Al8 cuboctahedra, edges with eight equivalent AlHf4Al4Zn4 cuboctahedra, faces with four equivalent HfAl8Zn4 cuboctahedra, faces with four equivalent ZnHf4Al8 cuboctahedra, and faces with ten equivalent AlHf4Al4Zn4 cuboctahedra. All Al–Al bond lengths are 2.88 Å.