U.S. Department of EnergyOffice of Scientific and Technical Information
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, Simore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-644693
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Si; Si
- OSTI Identifier:
- 1280469
- DOI:
- https://doi.org/10.17188/1280469
Citation Formats
The Materials Project. Materials Data on Si by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1280469.
The Materials Project. Materials Data on Si by Materials Project. United States. doi:https://doi.org/10.17188/1280469
The Materials Project. 2018.
"Materials Data on Si by Materials Project". United States. doi:https://doi.org/10.17188/1280469. https://www.osti.gov/servlets/purl/1280469. Pub date:Wed Oct 17 00:00:00 EDT 2018
@article{osti_1280469,
title = {Materials Data on Si by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1280469},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {10}
}