Materials Data on Mg5Zn by Materials Project

Abstract

Mg5Zn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form MgMg10Zn2 cuboctahedra that share corners with eighteen equivalent MgMg10Zn2 cuboctahedra, edges with four equivalent ZnMg12 cuboctahedra, edges with fourteen MgMg10Zn2 cuboctahedra, faces with four equivalent ZnMg12 cuboctahedra, and faces with sixteen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.13 Å. Both Mg–Zn bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form distorted MgMg9Zn3 cuboctahedra that share corners with nine equivalent MgMg9Zn3 cuboctahedra, corners with nine equivalent ZnMg12 cuboctahedra, edges with eighteen MgMg10Zn2 cuboctahedra, faces with three equivalent ZnMg12 cuboctahedra, and faces with seventeen MgMg10Zn2 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. All Mg–Zn bond lengths are 3.09 Å. Zn is bonded to twelve Mg atoms to form ZnMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Zn3 cuboctahedra, edges with six equivalent ZnMg12 cuboctahedra, edges with twelve equivalent MgMg10Zn2 cuboctahedra, faces with two equivalent ZnMg12 cuboctahedra, and faces with eighteen MgMg10Zn2 cuboctahedra.