Materials Data on Mg2Zn by Materials Project

Abstract

Mg2Zn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with twelve MgMg8Zn4 cuboctahedra, edges with eleven equivalent MgMg8Zn4 cuboctahedra, and faces with fourteen MgMg6Zn6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.12 Å. There are two shorter (3.01 Å) and four longer (3.03 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing MgMg8Zn4 cuboctahedra. There are four shorter (3.00 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are two shorter (2.97 Å) and two longer (3.01 Å) Mg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.