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 distorted pentagonal planar geometry to five Si atoms. There are a spread of Si–Si bond distances ranging from 2.34–2.67 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 2.41–2.58 Å. In the third Si site, Si is bonded in a tetrahedral geometry to four Si atoms. There are a spread of Si–Si bond distances ranging from 2.36–2.39 Å. In the fourth Si site, Si is bonded in a 4-coordinate geometry to four Si atoms. There are one shorter (2.39 Å) and one longer (2.41 Å) Si–Si bond lengths. In the fifth Si site, Si is bonded in a 4-coordinate geometry to four Si atoms. The Si–Si bond length is 2.44 Å. In the sixth Si site, Si is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.37 Å) and one longer (2.78 Å) Si–Si bond lengths. In the seventh Si site, Si is bonded in a 3-coordinate geometry to five Si atoms. The Si–Si bond length is 2.76 Å. In the eighth Si site, Si is bonded in a 4-coordinate geometry to five Si atoms.