Materials Data on Mg5Zn by Materials Project

Abstract

Mg5Zn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with twelve MgMg9Zn3 cuboctahedra, and faces with seventeen MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.05–3.17 Å. Both Mg–Zn bond lengths are 3.01 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg9Zn3 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.16 Å. There are two shorter (3.07 Å) and one longer (3.16 Å) Mg–Zn bond lengths. In the third Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.08–3.24 Å. Both Mg–Zn bond lengths are 3.04 Å. In the fourth Mg site, Mg is bonded to eleven Mg and one Zn atom to form a mixture of distorted face, edge, and corner-sharing MgMg11Zn cuboctahedra. There are two shorter (3.11 Å) and two longer (3.16 Å) Mg–Mg bond lengths. The Mg–Zn bond length is 3.02 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg10Zn2 cuboctahedra. Both Mg–Mg bond lengths are 3.16 Å. Both Mg–Zn bond lengths are 3.09 Å. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.