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Title: Materials Data on SiO2 by Materials Project

Abstract

SiO2 is Anatase-like structured and crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form distorted corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms.

Publication Date:
Other Number(s):
mp-558931
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; SiO2; O-Si
OSTI Identifier:
1270560
DOI:
10.17188/1270560

Citation Formats

The Materials Project. Materials Data on SiO2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1270560.
The Materials Project. Materials Data on SiO2 by Materials Project. United States. doi:10.17188/1270560.
The Materials Project. 2019. "Materials Data on SiO2 by Materials Project". United States. doi:10.17188/1270560. https://www.osti.gov/servlets/purl/1270560. Pub date:Wed Oct 23 00:00:00 EDT 2019
@article{osti_1270560,
title = {Materials Data on SiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SiO2 is Anatase-like structured and crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form distorted corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1270560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}

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