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Title: 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 tomore » 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.« less

Publication Date:
Other Number(s):
mp-676011
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si; Si
OSTI Identifier:
1282911
DOI:
https://doi.org/10.17188/1282911

Citation Formats

The Materials Project. Materials Data on Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282911.
The Materials Project. Materials Data on Si by Materials Project. United States. doi:https://doi.org/10.17188/1282911
The Materials Project. 2020. "Materials Data on Si by Materials Project". United States. doi:https://doi.org/10.17188/1282911. https://www.osti.gov/servlets/purl/1282911. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282911,
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 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.},
doi = {10.17188/1282911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}