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Title: Materials Data on Si2H2O3 by Materials Project

Abstract

Si2H2O3 is alpha-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three octasilsesquioxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to one H1- and three O2- atoms to form corner-sharing SiHO3 tetrahedra. The Si–H bond length is 1.47 Å. All Si–O bond lengths are 1.64 Å. In the second Si4+ site, Si4+ is bonded to one H1- and three equivalent O2- atoms to form corner-sharing SiHO3 tetrahedra. The Si–H bond length is 1.47 Å. All Si–O bond lengths are 1.64 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Si4+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one Si4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-24431
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; Si2H2O3; H-O-Si
OSTI Identifier:
1183673
DOI:
10.17188/1183673

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Si2H2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1183673.
Persson, Kristin, & Project, Materials. Materials Data on Si2H2O3 by Materials Project. United States. doi:10.17188/1183673.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Si2H2O3 by Materials Project". United States. doi:10.17188/1183673. https://www.osti.gov/servlets/purl/1183673. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1183673,
title = {Materials Data on Si2H2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Si2H2O3 is alpha-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three octasilsesquioxane molecules. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to one H1- and three O2- atoms to form corner-sharing SiHO3 tetrahedra. The Si–H bond length is 1.47 Å. All Si–O bond lengths are 1.64 Å. In the second Si4+ site, Si4+ is bonded to one H1- and three equivalent O2- atoms to form corner-sharing SiHO3 tetrahedra. The Si–H bond length is 1.47 Å. All Si–O bond lengths are 1.64 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Si4+ atom. In the second H1- site, H1- is bonded in a single-bond geometry to one Si4+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1183673},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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