Materials Data on Mg6SiSn2 by Materials Project

Abstract

Mg6Sn2Si crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Sn and two equivalent Si atoms to form a mixture of edge and corner-sharing MgSi2Sn2 tetrahedra. Both Mg–Sn bond lengths are 2.93 Å. Both Mg–Si bond lengths are 2.84 Å. In the second Mg site, Mg is bonded to three equivalent Sn and one Si atom to form a mixture of edge and corner-sharing MgSiSn3 tetrahedra. There are two shorter (2.92 Å) and one longer (2.93 Å) Mg–Sn bond lengths. The Mg–Si bond length is 2.78 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.