U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga2HgSe4 by Materials Project
Abstract
HgGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.
- Publication Date:
- Other Number(s):
- mp-4730
- 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-Se; Ga2HgSe4; crystal structure
- OSTI Identifier:
- 1208361
- DOI:
- https://doi.org/10.17188/1208361
Citation Formats
Materials Data on Ga2HgSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208361.
Materials Data on Ga2HgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1208361
2020.
"Materials Data on Ga2HgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1208361. https://www.osti.gov/servlets/purl/1208361. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208361,
title = {Materials Data on Ga2HgSe4 by Materials Project},
abstractNote = {HgGa2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.},
doi = {10.17188/1208361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}