Materials Data on MgSi2 by Materials Project

Abstract

MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to three equivalent Mg and eleven Si atoms. There are two shorter (3.07 Å) and one longer (3.28 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.84–3.26 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five equivalent Mg and four Si atoms. There are three shorter (2.52 Å) and one longer (2.57 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent Mg and four Si atoms. The Si–Si bond length is 2.48 Å.