U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- 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}
}