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Title: Materials Data on Ga2HgS4 by Materials Project

Abstract

HgGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4809
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; Ga2HgS4; Ga-Hg-S
OSTI Identifier:
1208414
DOI:
10.17188/1208414

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ga2HgS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208414.
Persson, Kristin, & Project, Materials. Materials Data on Ga2HgS4 by Materials Project. United States. doi:10.17188/1208414.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ga2HgS4 by Materials Project". United States. doi:10.17188/1208414. https://www.osti.gov/servlets/purl/1208414. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1208414,
title = {Materials Data on Ga2HgS4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HgGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.},
doi = {10.17188/1208414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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