ScHf crystallizes in the hexagonal P-6m2 space group. Sc(1) is bonded to six equivalent Sc(1) and six equivalent Hf(1) atoms to form ScHf6Sc6 cuboctahedra that share corners with eighteen equivalent Sc(1)Hf6Sc6 cuboctahedra, edges with six equivalent Sc(1)Hf6Sc6 cuboctahedra, edges with twelve equivalent Hf(1)Hf6Sc6 cuboctahedra, faces with eight equivalent Sc(1)Hf6Sc6 cuboctahedra, and faces with twelve equivalent Hf(1)Hf6Sc6 cuboctahedra. Hf(1) is bonded to six equivalent Sc(1) and six equivalent Hf(1) atoms to form HfHf6Sc6 cuboctahedra that share corners with eighteen equivalent Hf(1)Hf6Sc6 cuboctahedra, edges with six equivalent Hf(1)Hf6Sc6 cuboctahedra, edges with twelve equivalent Sc(1)Hf6Sc6 cuboctahedra, faces with eight equivalent Hf(1)Hf6Sc6 cuboctahedra, and faces with twelve equivalent Sc(1)Hf6Sc6 cuboctahedra.
ScHf crystallizes in the hexagonal P-6m2 space group. Sc(1) is bonded to six equivalent Sc(1) and six equivalent Hf(1) atoms to form ScHf6Sc6 cuboctahedra that share corners with eighteen equivalent Sc(1)Hf6Sc6 cuboctahedra, edges with six equivalent Sc(1)Hf6Sc6 cuboctahedra, edges with twelve equivalent Hf(1)Hf6Sc6 cuboctahedra, faces with eight equivalent Sc(1)Hf6Sc6 cuboctahedra, and faces with twelve equivalent Hf(1)Hf6Sc6 cuboctahedra. All Sc(1)-Sc(1) bond lengths are 3.24 Å. All Sc(1)-Hf(1) bond lengths are 3.16 Å. Hf(1) is bonded to six equivalent Sc(1) and six equivalent Hf(1) atoms to form HfHf6Sc6 cuboctahedra that share corners with eighteen equivalent Hf(1)Hf6Sc6 cuboctahedra, edges with six equivalent Hf(1)Hf6Sc6 cuboctahedra, edges with twelve equivalent Sc(1)Hf6Sc6 cuboctahedra, faces with eight equivalent Hf(1)Hf6Sc6 cuboctahedra, and faces with twelve equivalent Sc(1)Hf6Sc6 cuboctahedra. All Hf(1)-Hf(1) bond lengths are 3.24 Å.