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Title: Materials Data on Si2O3 by Materials Project

Abstract

Si2O3 is beta Sn structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydridospherosiloxane molecules. there are five inequivalent Si sites. In the first Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. All Si–O bond lengths are 1.65 Å. In the second Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the third Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. In the fourth Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. In the fifth Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. Inmore » the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Si atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1179195
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; Si2O3; O-Si
OSTI Identifier:
1746306
DOI:
https://doi.org/10.17188/1746306

Citation Formats

The Materials Project. Materials Data on Si2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746306.
The Materials Project. Materials Data on Si2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1746306
The Materials Project. 2020. "Materials Data on Si2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1746306. https://www.osti.gov/servlets/purl/1746306. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746306,
title = {Materials Data on Si2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Si2O3 is beta Sn structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydridospherosiloxane molecules. there are five inequivalent Si sites. In the first Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. All Si–O bond lengths are 1.65 Å. In the second Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. In the third Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.64–1.66 Å. In the fourth Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. In the fifth Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is two shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two Si atoms.},
doi = {10.17188/1746306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}