La3Hf is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded to eight equivalent La(1) and four equivalent Hf(1) atoms to form distorted LaLa8Hf4 cuboctahedra that share corners with four equivalent Hf(1)La12 cuboctahedra, corners with fourteen equivalent La(1)La8Hf4 cuboctahedra, edges with six equivalent Hf(1)La12 cuboctahedra, edges with twelve equivalent La(1)La8Hf4 cuboctahedra, faces with four equivalent Hf(1)La12 cuboctahedra, and faces with sixteen equivalent La(1)La8Hf4 cuboctahedra. Hf(1) is bonded to twelve equivalent La(1) atoms to form HfLa12 cuboctahedra that share corners with six equivalent Hf(1)La12 cuboctahedra, corners with twelve equivalent La(1)La8Hf4 cuboctahedra, edges with eighteen equivalent La(1)La8Hf4 cuboctahedra, faces with eight equivalent Hf(1)La12 cuboctahedra, and faces with twelve equivalent La(1)La8Hf4 cuboctahedra.
La3Hf is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded to eight equivalent La(1) and four equivalent Hf(1) atoms to form distorted LaLa8Hf4 cuboctahedra that share corners with four equivalent Hf(1)La12 cuboctahedra, corners with fourteen equivalent La(1)La8Hf4 cuboctahedra, edges with six equivalent Hf(1)La12 cuboctahedra, edges with twelve equivalent La(1)La8Hf4 cuboctahedra, faces with four equivalent Hf(1)La12 cuboctahedra, and faces with sixteen equivalent La(1)La8Hf4 cuboctahedra. There are a spread of La(1)-La(1) bond distances ranging from 3.44-3.75 Å. There are two shorter (3.53 Å) and two longer (3.59 Å) La(1)-Hf(1) bond lengths. Hf(1) is bonded to twelve equivalent La(1) atoms to form HfLa12 cuboctahedra that share corners with six equivalent Hf(1)La12 cuboctahedra, corners with twelve equivalent La(1)La8Hf4 cuboctahedra, edges with eighteen equivalent La(1)La8Hf4 cuboctahedra, faces with eight equivalent Hf(1)La12 cuboctahedra, and faces with twelve equivalent La(1)La8Hf4 cuboctahedra.