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Title: Materials Data on HgWO4 by Materials Project

Abstract

HgWO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 pentagonal pyramids. There are a spread of W–O bond distances ranging from 1.81–2.07 Å. Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.19–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent W6+ and three equivalent Hg2+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Hg2+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and two equivalent Hg2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1191753
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; HgWO4; Hg-O-W
OSTI Identifier:
1753304
DOI:
https://doi.org/10.17188/1753304

Citation Formats

The Materials Project. Materials Data on HgWO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753304.
The Materials Project. Materials Data on HgWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1753304
The Materials Project. 2020. "Materials Data on HgWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1753304. https://www.osti.gov/servlets/purl/1753304. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753304,
title = {Materials Data on HgWO4 by Materials Project},
author = {The Materials Project},
abstractNote = {HgWO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 pentagonal pyramids. There are a spread of W–O bond distances ranging from 1.81–2.07 Å. Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.19–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent W6+ and three equivalent Hg2+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Hg2+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and two equivalent Hg2+ atoms.},
doi = {10.17188/1753304},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}