Materials Data on MgSn by Materials Project

Abstract

MgSn crystallizes in the monoclinic Cm 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 six Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.09–3.25 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.12–3.22 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.16–3.26 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to seven Mg atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to seven Mg atoms.