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Title: Materials Data on BaHgO2 by Materials Project

Abstract

HgBaO2 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.71 Å) and three longer (2.80 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.71 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Hg2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556118
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; BaHgO2; Ba-Hg-O
OSTI Identifier:
1269181
DOI:
10.17188/1269181

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BaHgO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269181.
Persson, Kristin, & Project, Materials. Materials Data on BaHgO2 by Materials Project. United States. doi:10.17188/1269181.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BaHgO2 by Materials Project". United States. doi:10.17188/1269181. https://www.osti.gov/servlets/purl/1269181. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1269181,
title = {Materials Data on BaHgO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HgBaO2 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.71 Å) and three longer (2.80 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.71 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Hg2+ atom.},
doi = {10.17188/1269181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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