Materials Data on Mg19Ge5 by Materials Project

Abstract

Mg19Ge5 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to twelve Mg atoms. There are four shorter (3.38 Å) and eight longer (3.39 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to eight Mg and four Ge atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ge4 cuboctahedra. There are three shorter (2.87 Å) and three longer (2.89 Å) Mg–Mg bond lengths. There are a spread of Mg–Ge bond distances ranging from 3.37–3.39 Å. In the third Mg site, Mg is bonded to nine Mg and three equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing MgMg9Ge3 cuboctahedra. All Mg–Mg bond lengths are 2.89 Å. All Mg–Ge bond lengths are 3.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to twelve Mg atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to twelve equivalent Mg atoms.