Hf3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to eight equivalent Hf(1) and four equivalent Al(1) atoms to form distorted HfHf8Al4 cuboctahedra that share corners with four equivalent Al(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Al4 cuboctahedra, edges with six equivalent Al(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, faces with four equivalent Al(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Al4 cuboctahedra. Al(1) is bonded to twelve equivalent Hf(1) atoms to form AlHf12 cuboctahedra that share corners with six equivalent Al(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Al4 cuboctahedra, faces with eight equivalent Al(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Al4 cuboctahedra.
Hf3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded to eight equivalent Hf(1) and four equivalent Al(1) atoms to form distorted HfHf8Al4 cuboctahedra that share corners with four equivalent Al(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Al4 cuboctahedra, edges with six equivalent Al(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, faces with four equivalent Al(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Al4 cuboctahedra. There are a spread of Hf(1)-Hf(1) bond distances ranging from 2.99-3.13 Å. There are two shorter (3.03 Å) and two longer (3.06 Å) Hf(1)-Al(1) bond lengths. Al(1) is bonded to twelve equivalent Hf(1) atoms to form AlHf12 cuboctahedra that share corners with six equivalent Al(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Al4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Al4 cuboctahedra, faces with eight equivalent Al(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Al4 cuboctahedra.