Materials Data on Si by Materials Project
Si crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded in a tetrahedral geometry to four equivalent Si atoms. All Si–Si bond lengths are 2.82 Å. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.32 Å. In the third Si site, Si is bonded in a distorted see-saw-like geometry to four Si atoms. There are two shorter (2.34 Å) and one longer (2.44 Å) Si–Si bond lengths.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1191632
- Report Number(s):
- mp-16220
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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