Materials Data on MgSn3 by Materials Project

Abstract

MgSn3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.20–3.39 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg and six equivalent Sn atoms. There are two shorter (3.30 Å) and four longer (3.46 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg and nine Sn atoms. There are four shorter (3.21 Å) and two longer (3.38 Å) Sn–Sn bond lengths.