Materials Data on Mg5Sn by Materials Project

Abstract

Mg5Sn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to five Mg and two equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.28 Å. Both Mg–Sn bond lengths are 3.12 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three equivalent Sn atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.38 Å. There are two shorter (3.23 Å) and one longer (3.25 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Mg and two equivalent Sn atoms. Both Mg–Mg bond lengths are 3.21 Å. Both Mg–Sn bond lengths are 3.16 Å. In the fourth Mg site, Mg is bonded in a distorted single-bond geometry to four Mg and one Sn atom. Both Mg–Mg bond lengths are 3.11 Å. The Mg–Sn bond length is 3.04 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Sn atoms. Both Mg–Mg bond lengths are 3.38 Å. Both Mg–Sn bond lengths are 3.22 Å. Sn is bonded in a 12-coordinate geometry to ten Mg atoms.