Materials Data on MgSn by Materials Project

Abstract

MgSn crystallizes in the orthorhombic Amm2 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 Mg and six Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.11–3.40 Å. There are two shorter (3.11 Å) and four longer (3.36 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four Sn atoms. There are two shorter (3.16 Å) and two longer (3.24 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four Sn atoms. All Mg–Sn bond lengths are 3.03 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to six Mg atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms.