ScHf3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to twelve equivalent Hf(1) atoms to form ScHf12 cuboctahedra that share corners with six equivalent Sc(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Sc4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Sc4 cuboctahedra, faces with eight equivalent Sc(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Sc4 cuboctahedra. Hf(1) is bonded to four equivalent Sc(1) and eight equivalent Hf(1) atoms to form HfHf8Sc4 cuboctahedra that share corners with four equivalent Sc(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Sc4 cuboctahedra, edges with six equivalent Sc(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Sc4 cuboctahedra, faces with four equivalent Sc(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Sc4 cuboctahedra.
ScHf3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Sc(1) is bonded to twelve equivalent Hf(1) atoms to form ScHf12 cuboctahedra that share corners with six equivalent Sc(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Sc4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Sc4 cuboctahedra, faces with eight equivalent Sc(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Sc4 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.22 Å) Sc(1)-Hf(1) bond lengths. Hf(1) is bonded to four equivalent Sc(1) and eight equivalent Hf(1) atoms to form HfHf8Sc4 cuboctahedra that share corners with four equivalent Sc(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Sc4 cuboctahedra, edges with six equivalent Sc(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Sc4 cuboctahedra, faces with four equivalent Sc(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Sc4 cuboctahedra. There are a spread of Hf(1)-Hf(1) bond distances ranging from 3.13-3.22 Å.