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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.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1191632
Report Number(s):
mp-16220
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Si

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. https://doi.org/10.17188/1191632
The Materials Project. 2020. "Materials Data on Si by Materials Project". United States. https://doi.org/10.17188/1191632. https://www.osti.gov/servlets/purl/1191632.
@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},
url = {https://www.osti.gov/biblio/1191632}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}