Materials Data on Si by Materials Project

Abstract

Si crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Si–Si bond distances ranging from 2.21–2.86 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Si–Si bond distances ranging from 2.13–2.65 Å. In the third Si site, Si is bonded in a distorted trigonal planar geometry to three Si atoms. The Si–Si bond length is 2.72 Å. In the fourth Si site, Si is bonded in a 1-coordinate geometry to four Si atoms. There are a spread of Si–Si bond distances ranging from 1.90–2.85 Å. In the fifth Si site, Si is bonded in a 1-coordinate geometry to six Si atoms. There are a spread of Si–Si bond distances ranging from 2.50–2.87 Å. In the sixth Si site, Si is bonded in a 1-coordinate geometry to four Si atoms. The Si–Si bond length is 1.88 Å. In the seventh Si site, Si is bonded in a 1-coordinate geometry to four Si atoms. In the eighth Si site, Si is bonded in a 4-coordinate geometry to four Si atoms.