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 equivalent Mg and four equivalent Zn atoms to form distorted MgMg6Zn4 cuboctahedra that share corners with sixteen MgMg10Zn2 cuboctahedra, edges with nine MgMg6Zn4 cuboctahedra, and faces with twelve MgMg6Zn4 cuboctahedra. There are four shorter (3.08 Å) and two longer (3.23 Å) Mg–Mg bond lengths. There are two shorter (2.88 Å) and two longer (2.93 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted edge, corner, and face-sharing MgMg10Zn2 cuboctahedra. All Mg–Mg bond lengths are 3.11 Å. Both Mg–Zn bond lengths are 2.95 Å. Zn is bonded in a 6-coordinate geometry to six Mg atoms.