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Title: Materials Data on Si3O by Materials Project

Abstract

Si3O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. There are one shorter (2.48 Å) and one longer (2.49 Å) Si–Si bond lengths. The Si–O bond length is 1.62 Å. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are one shorter (2.48 Å) and one longer (2.51 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. The Si–O bond length is 1.65 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent Si atoms.

Authors:
Publication Date:
Other Number(s):
mp-32881
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; Si3O; O-Si
OSTI Identifier:
1261649
DOI:
https://doi.org/10.17188/1261649

Citation Formats

The Materials Project. Materials Data on Si3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261649.
The Materials Project. Materials Data on Si3O by Materials Project. United States. doi:https://doi.org/10.17188/1261649
The Materials Project. 2020. "Materials Data on Si3O by Materials Project". United States. doi:https://doi.org/10.17188/1261649. https://www.osti.gov/servlets/purl/1261649. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1261649,
title = {Materials Data on Si3O by Materials Project},
author = {The Materials Project},
abstractNote = {Si3O crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. There are one shorter (2.48 Å) and one longer (2.49 Å) Si–Si bond lengths. The Si–O bond length is 1.62 Å. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are one shorter (2.48 Å) and one longer (2.51 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a single-bond geometry to two equivalent Si and one O atom. The Si–O bond length is 1.65 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Si atoms. In the second O site, O is bonded in a linear geometry to two equivalent Si atoms.},
doi = {10.17188/1261649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}