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Title: Materials Data on Si8C3 by Materials Project

Abstract

Si8C3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Si8C3 clusters. In two of the Si8C3 clusters, there are eight inequivalent Si1+ sites. In the first Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.91 Å. In the second Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. In the third Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.91 Å) and one longer (1.96 Å) Si–C bond length. In the fourth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.93 Å. In the fifth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.86 Å. In the sixth Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Si–C bond length. In the seventh Si1+ site, Si1+ is bonded in an L-shapedmore » geometry to two C+2.67- atoms. There is one shorter (1.96 Å) and one longer (2.02 Å) Si–C bond length. In the eighth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.94 Å. There are three inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In the second C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In the third C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In two of the Si8C3 clusters, there are eight inequivalent Si1+ sites. In the first Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.93 Å. In the second Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.91 Å) and one longer (1.92 Å) Si–C bond length. In the third Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Si–C bond length. In the fourth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.86 Å. In the fifth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.87 Å. In the sixth Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.90 Å) and one longer (2.08 Å) Si–C bond length. In the seventh Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.89 Å) and one longer (1.92 Å) Si–C bond length. In the eighth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.92 Å. There are three inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded in a distorted tetrahedral geometry to four Si1+ atoms. In the second C+2.67- site, C+2.67- is bonded in a distorted rectangular see-saw-like geometry to four Si1+ atoms. In the third C+2.67- site, C+2.67- is bonded in a tetrahedral geometry to four Si1+ atoms.« less

Publication Date:
Other Number(s):
mp-1202928
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; Si8C3; C-Si
OSTI Identifier:
1672153
DOI:
https://doi.org/10.17188/1672153

Citation Formats

The Materials Project. Materials Data on Si8C3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672153.
The Materials Project. Materials Data on Si8C3 by Materials Project. United States. doi:https://doi.org/10.17188/1672153
The Materials Project. 2019. "Materials Data on Si8C3 by Materials Project". United States. doi:https://doi.org/10.17188/1672153. https://www.osti.gov/servlets/purl/1672153. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672153,
title = {Materials Data on Si8C3 by Materials Project},
author = {The Materials Project},
abstractNote = {Si8C3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four Si8C3 clusters. In two of the Si8C3 clusters, there are eight inequivalent Si1+ sites. In the first Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.91 Å. In the second Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.89 Å) and one longer (1.91 Å) Si–C bond length. In the third Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.91 Å) and one longer (1.96 Å) Si–C bond length. In the fourth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.93 Å. In the fifth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.86 Å. In the sixth Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.90 Å) and one longer (1.91 Å) Si–C bond length. In the seventh Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.96 Å) and one longer (2.02 Å) Si–C bond length. In the eighth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.94 Å. There are three inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In the second C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In the third C+2.67- site, C+2.67- is bonded in a rectangular see-saw-like geometry to four Si1+ atoms. In two of the Si8C3 clusters, there are eight inequivalent Si1+ sites. In the first Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.93 Å. In the second Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.91 Å) and one longer (1.92 Å) Si–C bond length. In the third Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Si–C bond length. In the fourth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.86 Å. In the fifth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.87 Å. In the sixth Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.90 Å) and one longer (2.08 Å) Si–C bond length. In the seventh Si1+ site, Si1+ is bonded in an L-shaped geometry to two C+2.67- atoms. There is one shorter (1.89 Å) and one longer (1.92 Å) Si–C bond length. In the eighth Si1+ site, Si1+ is bonded in a single-bond geometry to one C+2.67- atom. The Si–C bond length is 1.92 Å. There are three inequivalent C+2.67- sites. In the first C+2.67- site, C+2.67- is bonded in a distorted tetrahedral geometry to four Si1+ atoms. In the second C+2.67- site, C+2.67- is bonded in a distorted rectangular see-saw-like geometry to four Si1+ atoms. In the third C+2.67- site, C+2.67- is bonded in a tetrahedral geometry to four Si1+ atoms.},
doi = {10.17188/1672153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}