Materials Data on Mg4Si3 by Materials Project

Mg4Si3 is beta Plutonium-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Mg–Si bond distances ranging from 2.65–2.79 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.87–3.13 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.25 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.90–3.11 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 11-coordinate geometry to nine Mg and two Si atoms. There are one shorter (2.72 Å) and one longer (2.83 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 2-coordinate geometry to eight Mg and three Si atoms. There are one shorter (2.61 Å) and one longer (2.68 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 10-coordinate geometry to six Mg and four Si atoms. Both Si–Si bond lengths are 2.87 Å. In the fourth Si site, Si is bonded in a 12-coordinate geometry to eight Mg and four Si atoms.