Materials Data on Mg3Zn by Materials Project

Mg3Zn1 is beta Cu3Ti-like 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 Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with four equivalent ZnMg12 cuboctahedra, corners with fourteen equivalent MgMg8Zn4 cuboctahedra, edges with six equivalent ZnMg12 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.00–3.13 Å. There are two shorter (3.03 Å) and two longer (3.06 Å) Mg–Zn bond lengths. Zn is bonded to twelve equivalent Mg atoms to form ZnMg12 cuboctahedra that share corners with six equivalent ZnMg12 cuboctahedra, corners with twelve equivalent MgMg8Zn4 cuboctahedra, edges with eighteen equivalent MgMg8Zn4 cuboctahedra, faces with eight equivalent ZnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra.