Materials Data on Mg2Zn by Materials Project

Abstract

Mg2Zn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.13 Å. There are two shorter (2.95 Å) and one longer (3.08 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to seven Mg and five equivalent Zn atoms to form distorted MgMg7Zn5 cuboctahedra that share corners with twelve MgMg9Zn3 cuboctahedra, edges with thirteen MgMg9Zn3 cuboctahedra, and faces with twelve MgMg7Zn5 cuboctahedra. There are one shorter (2.90 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.96–3.07 Å. Zn is bonded in a 12-coordinate geometry to eight Mg atoms.