Materials Data on MgSn2 by Materials Project

Abstract

MgSn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.02–3.34 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.13–3.26 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms.