Materials Data on Mg4SiSn by Materials Project

Abstract

Mg4SnSi is alpha bismuth trifluoride-derived structured and 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 three equivalent Sn and one Si atom to form a mixture of edge and corner-sharing MgSiSn3 tetrahedra. All Mg–Sn bond lengths are 2.88 Å. The Mg–Si bond length is 2.77 Å. In the second Mg site, Mg is bonded to one Sn and three equivalent Si atoms to form a mixture of edge and corner-sharing MgSi3Sn tetrahedra. The Mg–Sn bond length is 2.91 Å. All Mg–Si bond lengths are 2.83 Å. Sn 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.