U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-4809
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ga-Hg-S; Ga2HgS4; crystal structure
- OSTI Identifier:
- 1208414
- DOI:
- https://doi.org/10.17188/1208414
Citation Formats
Materials Data on Ga2HgS4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1208414.
Materials Data on Ga2HgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1208414
2017.
"Materials Data on Ga2HgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1208414. https://www.osti.gov/servlets/purl/1208414. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1208414,
title = {Materials Data on Ga2HgS4 by Materials Project},
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 = {2017},
month = {5}
}