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 a spread of Mg–Mg bond distances ranging from 3.07–3.28 Å. There are a spread of Mg–Si bond distances ranging from 2.83–3.16 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to six equivalent Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.55 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to five equivalent Mg and four Si atoms. The Si–Si bond length is 2.47 Å.