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Title: Materials Data on HgSeO4 by Materials Project

Abstract

HgSeO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.30–3.06 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.67 Å) and two longer (1.70 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one Se6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-10796
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; HgSeO4; Hg-O-Se
OSTI Identifier:
1187368
DOI:
10.17188/1187368

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HgSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187368.
Persson, Kristin, & Project, Materials. Materials Data on HgSeO4 by Materials Project. United States. doi:10.17188/1187368.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HgSeO4 by Materials Project". United States. doi:10.17188/1187368. https://www.osti.gov/servlets/purl/1187368. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187368,
title = {Materials Data on HgSeO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HgSeO4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.30–3.06 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.67 Å) and two longer (1.70 Å) Se–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hg2+ and one Se6+ atom.},
doi = {10.17188/1187368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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