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Title: Materials Data on Si by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-16220
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:
1191632
DOI:
10.17188/1191632

Citation Formats

The Materials Project. Materials Data on Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191632.
The Materials Project. Materials Data on Si by Materials Project. United States. doi:10.17188/1191632.
The Materials Project. 2020. "Materials Data on Si by Materials Project". United States. doi:10.17188/1191632. https://www.osti.gov/servlets/purl/1191632. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1191632,
title = {Materials Data on Si by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1191632},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

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