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Title: Materials Data on Ga2HgO4 by Materials Project

Abstract

HgGa2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.88–2.00 Å. In the second Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.94–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded to one Hg2+ and three Ga3+ atoms to form distorted corner-sharing OGa3Hg tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms.

Publication Date:
Other Number(s):
mp-756460
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; Ga2HgO4; Ga-Hg-O
OSTI Identifier:
1290523
DOI:
10.17188/1290523

Citation Formats

The Materials Project. Materials Data on Ga2HgO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290523.
The Materials Project. Materials Data on Ga2HgO4 by Materials Project. United States. doi:10.17188/1290523.
The Materials Project. 2020. "Materials Data on Ga2HgO4 by Materials Project". United States. doi:10.17188/1290523. https://www.osti.gov/servlets/purl/1290523. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1290523,
title = {Materials Data on Ga2HgO4 by Materials Project},
author = {The Materials Project},
abstractNote = {HgGa2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.88–2.00 Å. In the second Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.94–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded to one Hg2+ and three Ga3+ atoms to form distorted corner-sharing OGa3Hg tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms.},
doi = {10.17188/1290523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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