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Title: Materials Data on HeSiO2 by Materials Project

Abstract

HeSiO2 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight helium molecules and one SiO2 framework. In the SiO2 framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Si atoms. In the second O site, O is bonded in a linear geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.

Publication Date:
Other Number(s):
mp-1019741
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; HeSiO2; He-O-Si
OSTI Identifier:
1350847
DOI:
10.17188/1350847

Citation Formats

The Materials Project. Materials Data on HeSiO2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1350847.
The Materials Project. Materials Data on HeSiO2 by Materials Project. United States. doi:10.17188/1350847.
The Materials Project. 2017. "Materials Data on HeSiO2 by Materials Project". United States. doi:10.17188/1350847. https://www.osti.gov/servlets/purl/1350847. Pub date:Mon Apr 10 00:00:00 EDT 2017
@article{osti_1350847,
title = {Materials Data on HeSiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {HeSiO2 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight helium molecules and one SiO2 framework. In the SiO2 framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are four inequivalent O sites. In the first O site, O is bonded in a linear geometry to two Si atoms. In the second O site, O is bonded in a linear geometry to two Si atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms.},
doi = {10.17188/1350847},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {4}
}

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