skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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 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 » is bonded in a 4-coordinate geometry to four Si atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-644693
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:
1280469
DOI:
10.17188/1280469

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Si by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1280469.
Persson, Kristin, & Project, Materials. Materials Data on Si by Materials Project. United States. doi:10.17188/1280469.
Persson, Kristin, and Project, Materials. 2018. "Materials Data on Si by Materials Project". United States. doi: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 = {Persson, Kristin and Project, Materials},
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}
}

Dataset:

Save / Share: