Materials Data on Mg3Sc by Materials Project
Mg3Sc is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Sc atoms to form MgMg8Sc4 cuboctahedra that share corners with four equivalent ScMg12 cuboctahedra, corners with fourteen equivalent MgMg8Sc4 cuboctahedra, edges with six equivalent ScMg12 cuboctahedra, edges with twelve equivalent MgMg8Sc4 cuboctahedra, faces with four equivalent ScMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Sc4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.23 Å. There are two shorter (3.15 Å) and two longer (3.23 Å) Mg–Sc bond lengths. Sc is bonded to twelve equivalent Mg atoms to form ScMg12 cuboctahedra that share corners with six equivalent ScMg12 cuboctahedra, corners with twelve equivalent MgMg8Sc4 cuboctahedra, edges with eighteen equivalent MgMg8Sc4 cuboctahedra, faces with eight equivalent ScMg12 cuboctahedra, and faces with twelve equivalent MgMg8Sc4 cuboctahedra.