Materials Data on Mg6SnC by Materials Project

Abstract

MgMg5SnC crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional and consists of two magnesium molecules, two methane molecules, and one Mg5Sn framework. In the Mg5Sn framework, there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sn atoms. There are one shorter (3.09 Å) and one longer (3.10 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Sn atoms. Both Mg–Sn bond lengths are 3.05 Å. In the third Mg site, Mg is bonded in a distorted water-like geometry to two equivalent Sn atoms. Both Mg–Sn bond lengths are 2.98 Å. Sn is bonded in a distorted q6 geometry to ten Mg atoms.