Materials Data on Mg4SiGe by Materials Project

Abstract

Mg4GeSi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to one Ge and three equivalent Si atoms to form a mixture of edge and corner-sharing MgSi3Ge tetrahedra. The Mg–Ge bond length is 2.77 Å. All Mg–Si bond lengths are 2.77 Å. In the second Mg site, Mg is bonded to three equivalent Ge and one Si atom to form a mixture of edge and corner-sharing MgSiGe3 tetrahedra. All Mg–Ge bond lengths are 2.77 Å. The Mg–Si bond length is 2.76 Å. Ge is bonded in a body-centered cubic geometry to eight Mg atoms. Si is bonded in a body-centered cubic geometry to eight Mg atoms.