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Title: Materials Data on Si2Cl2O3 by Materials Project

Abstract

Si2O3Cl2 is beta Polonium structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three perchlorooctasilsesquioxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. In the second Si4+ site, Si4+ is bonded to three equivalent O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ 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.

Publication Date:
Other Number(s):
mp-28959
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; Si2Cl2O3; Cl-O-Si
OSTI Identifier:
1203020
DOI:
https://doi.org/10.17188/1203020

Citation Formats

The Materials Project. Materials Data on Si2Cl2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203020.
The Materials Project. Materials Data on Si2Cl2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1203020
The Materials Project. 2020. "Materials Data on Si2Cl2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1203020. https://www.osti.gov/servlets/purl/1203020. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1203020,
title = {Materials Data on Si2Cl2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Si2O3Cl2 is beta Polonium structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three perchlorooctasilsesquioxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. In the second Si4+ site, Si4+ is bonded to three equivalent O2- and one Cl1- atom to form corner-sharing SiClO3 tetrahedra. All Si–O bond lengths are 1.63 Å. The Si–Cl bond length is 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ 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 = {10.17188/1203020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}