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 9-coordinate geometry to three Mg and six Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.38–2.97 Å. There are a spread of Mg–Si bond distances ranging from 2.78–3.16 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to five Mg and four Si atoms. There are a spread of Mg–Mg bond distances ranging from 2.63–3.09 Å. There are a spread of Mg–Si bond distances ranging from 2.65–3.05 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to four Mg and five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.44–3.21 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.22–2.98 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to six Mg and one Si atom. In the third Si site, Si is bonded in a 6-coordinate geometry to four Mg and three equivalent Si atoms.