Materials Data on HfAl3 by Materials Project

Abstract

Al3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to twelve equivalent Al atoms to form HfAl12 cuboctahedra that share corners with twelve equivalent HfAl12 cuboctahedra, edges with twenty-four equivalent AlHf4Al8 cuboctahedra, faces with six equivalent HfAl12 cuboctahedra, and faces with twelve equivalent AlHf4Al8 cuboctahedra. All Hf–Al bond lengths are 2.89 Å. Al is bonded to four equivalent Hf and eight equivalent Al atoms to form AlHf4Al8 cuboctahedra that share corners with twelve equivalent AlHf4Al8 cuboctahedra, edges with eight equivalent HfAl12 cuboctahedra, edges with sixteen equivalent AlHf4Al8 cuboctahedra, faces with four equivalent HfAl12 cuboctahedra, and faces with fourteen equivalent AlHf4Al8 cuboctahedra. All Al–Al bond lengths are 2.89 Å.