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Title: Materials Data on Si2SbC7Cl2 by Materials Project

Abstract

Si2C7SbCl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 4-coordinate geometry to three C+0.57- and one Cl1- atom. There are a spread of Si–C bond distances ranging from 1.82–1.86 Å. The Si–Cl bond length is 2.09 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to three C+0.57- and one Cl1- atom. There is one shorter (1.80 Å) and two longer (1.90 Å) Si–C bond length. The Si–Cl bond length is 2.10 Å. There are seven inequivalent C+0.57- sites. In the first C+0.57- site, C+0.57- is bonded in a distorted single-bond geometry to one Si4+ and two C+0.57- atoms. There is one shorter (1.39 Å) and one longer (1.40 Å) C–C bond length. In the second C+0.57- site, C+0.57- is bonded in a 3-coordinate geometry to two C+0.57- and one Sb2- atom. The C–C bond length is 1.41 Å. The C–Sb bond length is 2.34 Å. In the third C+0.57- site, C+0.57- is bonded in a trigonal non-coplanar geometry to two Si4+ and one Sb2- atom. The C–Sb bond length is 2.11 Å. In the fourth C+0.57-more » site, C+0.57- is bonded in a trigonal planar geometry to two C+0.57- and one Sb2- atom. Both C–C bond lengths are 1.40 Å. The C–Sb bond length is 2.20 Å. In the fifth C+0.57- site, C+0.57- is bonded in a 3-coordinate geometry to one Si4+ and two C+0.57- atoms. The C–C bond length is 1.43 Å. In the sixth C+0.57- site, C+0.57- is bonded in a 1-coordinate geometry to one Si4+ and two C+0.57- atoms. In the seventh C+0.57- site, C+0.57- is bonded in a distorted single-bond geometry to one Si4+ and two C+0.57- atoms. Sb2- is bonded in a trigonal non-coplanar geometry to three C+0.57- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-1179297
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; Si2SbC7Cl2; C-Cl-Sb-Si
OSTI Identifier:
1662719
DOI:
https://doi.org/10.17188/1662719

Citation Formats

The Materials Project. Materials Data on Si2SbC7Cl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662719.
The Materials Project. Materials Data on Si2SbC7Cl2 by Materials Project. United States. doi:https://doi.org/10.17188/1662719
The Materials Project. 2020. "Materials Data on Si2SbC7Cl2 by Materials Project". United States. doi:https://doi.org/10.17188/1662719. https://www.osti.gov/servlets/purl/1662719. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1662719,
title = {Materials Data on Si2SbC7Cl2 by Materials Project},
author = {The Materials Project},
abstractNote = {Si2C7SbCl2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 4-coordinate geometry to three C+0.57- and one Cl1- atom. There are a spread of Si–C bond distances ranging from 1.82–1.86 Å. The Si–Cl bond length is 2.09 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to three C+0.57- and one Cl1- atom. There is one shorter (1.80 Å) and two longer (1.90 Å) Si–C bond length. The Si–Cl bond length is 2.10 Å. There are seven inequivalent C+0.57- sites. In the first C+0.57- site, C+0.57- is bonded in a distorted single-bond geometry to one Si4+ and two C+0.57- atoms. There is one shorter (1.39 Å) and one longer (1.40 Å) C–C bond length. In the second C+0.57- site, C+0.57- is bonded in a 3-coordinate geometry to two C+0.57- and one Sb2- atom. The C–C bond length is 1.41 Å. The C–Sb bond length is 2.34 Å. In the third C+0.57- site, C+0.57- is bonded in a trigonal non-coplanar geometry to two Si4+ and one Sb2- atom. The C–Sb bond length is 2.11 Å. In the fourth C+0.57- site, C+0.57- is bonded in a trigonal planar geometry to two C+0.57- and one Sb2- atom. Both C–C bond lengths are 1.40 Å. The C–Sb bond length is 2.20 Å. In the fifth C+0.57- site, C+0.57- is bonded in a 3-coordinate geometry to one Si4+ and two C+0.57- atoms. The C–C bond length is 1.43 Å. In the sixth C+0.57- site, C+0.57- is bonded in a 1-coordinate geometry to one Si4+ and two C+0.57- atoms. In the seventh C+0.57- site, C+0.57- is bonded in a distorted single-bond geometry to one Si4+ and two C+0.57- atoms. Sb2- is bonded in a trigonal non-coplanar geometry to three C+0.57- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom.},
doi = {10.17188/1662719},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}