U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2HgS4 by Materials Project
Abstract
HgAl2S4 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 AlS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-7906
- 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; Al-Hg-S; Al2HgS4; crystal structure
- OSTI Identifier:
- 1307811
- DOI:
- https://doi.org/10.17188/1307811
Citation Formats
Materials Data on Al2HgS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307811.
Materials Data on Al2HgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1307811
2020.
"Materials Data on Al2HgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1307811. https://www.osti.gov/servlets/purl/1307811. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1307811,
title = {Materials Data on Al2HgS4 by Materials Project},
abstractNote = {HgAl2S4 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 AlS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.},
doi = {10.17188/1307811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}