Mg3Hf is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Hf(1) atoms to form MgHf4Mg8 cuboctahedra that share corners with four equivalent Hf(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(1)Hf4Mg8 cuboctahedra, edges with six equivalent Hf(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(1)Hf4Mg8 cuboctahedra, faces with four equivalent Hf(1)Mg12 cuboctahedra, and faces with sixteen equivalent Mg(1)Hf4Mg8 cuboctahedra. Hf(1) is bonded to twelve equivalent Mg(1) atoms to form HfMg12 cuboctahedra that share corners with six equivalent Hf(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Hf4Mg8 cuboctahedra, edges with eighteen equivalent Mg(1)Hf4Mg8 cuboctahedra, faces with eight equivalent Hf(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Hf4Mg8 cuboctahedra.
Mg3Hf is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Hf(1) atoms to form MgHf4Mg8 cuboctahedra that share corners with four equivalent Hf(1)Mg12 cuboctahedra, corners with fourteen equivalent Mg(1)Hf4Mg8 cuboctahedra, edges with six equivalent Hf(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(1)Hf4Mg8 cuboctahedra, faces with four equivalent Hf(1)Mg12 cuboctahedra, and faces with sixteen equivalent Mg(1)Hf4Mg8 cuboctahedra. There are a spread of Mg(1)-Mg(1) bond distances ranging from 3.11-3.18 Å. There are two shorter (3.10 Å) and two longer (3.16 Å) Mg(1)-Hf(1) bond lengths. Hf(1) is bonded to twelve equivalent Mg(1) atoms to form HfMg12 cuboctahedra that share corners with six equivalent Hf(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Hf4Mg8 cuboctahedra, edges with eighteen equivalent Mg(1)Hf4Mg8 cuboctahedra, faces with eight equivalent Hf(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Hf4Mg8 cuboctahedra.