Materials Data on MgSi by Materials Project

Abstract

MgSi crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to seven Mg and six Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.88–3.27 Å. There are a spread of Mg–Si bond distances ranging from 2.70–3.29 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg and nine Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.09 Å. In the third Mg site, Mg is bonded in a 11-coordinate geometry to four equivalent Mg and six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.06 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to seven Mg and three equivalent Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.67 Å. In the second Si site, Si is bonded in a 1-coordinate geometry to five Mg and four Si atoms. The Si–Si bond length is 2.46 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Mg and one Si atom. The Si–Si bond length is 2.48 Å.