Materials Data on MgSn by Materials Project

Abstract

MgSn crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one MgSn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.05–3.20 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.10–3.19 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to four Sn atoms. There are two shorter (3.12 Å) and two longer (3.22 Å) Mg–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to four 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 5-coordinate geometry to five Mg atoms.