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Title: Materials Data on Si3(Cl4O)2 by Materials Project

Abstract

Cl3SiOSiCl2OSiCl3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four octachlorotrisiloxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to two equivalent O2- and two Cl1- atoms to form corner-sharing SiCl2O2 tetrahedra. Both Si–O bond lengths are 1.63 Å. There are one shorter (2.03 Å) and one longer (2.04 Å) Si–Cl bond lengths. In the second Si4+ site, Si4+ is bonded to one O2- and three Cl1- atoms to form corner-sharing SiCl3O tetrahedra. The Si–O bond length is 1.63 Å. All Si–Cl bond lengths are 2.03 Å. O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. There are five 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. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30224
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si3(Cl4O)2; Cl-O-Si
OSTI Identifier:
1204637
DOI:
https://doi.org/10.17188/1204637

Citation Formats

The Materials Project. Materials Data on Si3(Cl4O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204637.
The Materials Project. Materials Data on Si3(Cl4O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204637
The Materials Project. 2020. "Materials Data on Si3(Cl4O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204637. https://www.osti.gov/servlets/purl/1204637. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204637,
title = {Materials Data on Si3(Cl4O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cl3SiOSiCl2OSiCl3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four octachlorotrisiloxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to two equivalent O2- and two Cl1- atoms to form corner-sharing SiCl2O2 tetrahedra. Both Si–O bond lengths are 1.63 Å. There are one shorter (2.03 Å) and one longer (2.04 Å) Si–Cl bond lengths. In the second Si4+ site, Si4+ is bonded to one O2- and three Cl1- atoms to form corner-sharing SiCl3O tetrahedra. The Si–O bond length is 1.63 Å. All Si–Cl bond lengths are 2.03 Å. O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. There are five 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. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Si4+ atom.},
doi = {10.17188/1204637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}