Materials Data on Mg3Si2 by Materials Project

Mg3Si2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.08 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six 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 distorted square co-planar geometry to four Si atoms. There are two shorter (2.70 Å) and two longer (2.72 Å) Mg–Si bond lengths. In the fourth Mg site, Mg is bonded in a distorted square co-planar geometry to four Si atoms. There are two shorter (2.70 Å) and two longer (2.72 Å) Mg–Si bond lengths. In the fifth Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.10 Å. In the sixth Mg site, Mg is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Mg–Si bond distances ranging from 2.83–3.09 Å. In the seventh Mg site, Mg is bonded in a distorted square co-planar geometry to four Si atoms. There are two shorter (2.70 Å) and two longer (2.72 Å) Mg–Si bond lengths. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.37 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.37 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. In the fourth Si site, Si is bonded in a 9-coordinate geometry to eight Mg and one Si atom. The Si–Si bond length is 2.37 Å.