Materials Data on Mg2Zn by Materials Project

Abstract

Mg2Zn is beta-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with eighteen equivalent MgMg8Zn4 cuboctahedra, edges with six equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg9Zn3 cuboctahedra, faces with eight equivalent MgMg8Zn4 cuboctahedra, and faces with eight equivalent ZnMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.94–3.15 Å. There are two shorter (3.11 Å) and two longer (3.17 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded in a distorted hexagonal planar geometry to six equivalent Mg and six equivalent Zn atoms. All Mg–Zn bond lengths are 2.97 Å. Zn is bonded to nine Mg and three equivalent Zn atoms to form distorted ZnMg9Zn3 cuboctahedra that share corners with twelve equivalent ZnMg9Zn3 cuboctahedra, edges with six equivalent ZnMg9Zn3 cuboctahedra, edges with twelve equivalent MgMg8Zn4 cuboctahedra, faces with four equivalent ZnMg9Zn3 cuboctahedra, and faces with twelve equivalent MgMg8Zn4 cuboctahedra. All Zn–Zn bond lengths are 2.97 Å.