Materials Data on Mg2Sn by Materials Project

Abstract

Mg2Sn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Mg and five equivalent Sn atoms. All Mg–Mg bond lengths are 3.24 Å. There are a spread of Mg–Sn bond distances ranging from 3.10–3.25 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.13–3.31 Å. There are two shorter (3.19 Å) and two longer (3.23 Å) Mg–Sn bond lengths. Sn is bonded in a 9-coordinate geometry to nine Mg atoms.