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Title: Materials Data on Si5C3 by Materials Project

Abstract

Si5C3 crystallizes in the trigonal R3 space group. The structure is three-dimensional and consists of three silicon molecules and one Si4C3 framework. In the Si4C3 framework, there are two inequivalent Si+2.40+ sites. In the first Si+2.40+ site, Si+2.40+ is bonded in a trigonal planar geometry to three equivalent C4- atoms. All Si–C bond lengths are 1.85 Å. In the second Si+2.40+ site, Si+2.40+ is bonded in a bent 120 degrees geometry to two equivalent C4- atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) Si–C bond length. C4- is bonded in a trigonal planar geometry to three Si+2.40+ atoms.

Publication Date:
Other Number(s):
mp-1219306
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; Si5C3; C-Si
OSTI Identifier:
1751294
DOI:
https://doi.org/10.17188/1751294

Citation Formats

The Materials Project. Materials Data on Si5C3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751294.
The Materials Project. Materials Data on Si5C3 by Materials Project. United States. doi:https://doi.org/10.17188/1751294
The Materials Project. 2020. "Materials Data on Si5C3 by Materials Project". United States. doi:https://doi.org/10.17188/1751294. https://www.osti.gov/servlets/purl/1751294. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751294,
title = {Materials Data on Si5C3 by Materials Project},
author = {The Materials Project},
abstractNote = {Si5C3 crystallizes in the trigonal R3 space group. The structure is three-dimensional and consists of three silicon molecules and one Si4C3 framework. In the Si4C3 framework, there are two inequivalent Si+2.40+ sites. In the first Si+2.40+ site, Si+2.40+ is bonded in a trigonal planar geometry to three equivalent C4- atoms. All Si–C bond lengths are 1.85 Å. In the second Si+2.40+ site, Si+2.40+ is bonded in a bent 120 degrees geometry to two equivalent C4- atoms. There is one shorter (1.78 Å) and one longer (1.79 Å) Si–C bond length. C4- is bonded in a trigonal planar geometry to three Si+2.40+ atoms.},
doi = {10.17188/1751294},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}