U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hg2GeSe4 by Materials Project
Abstract
Hg2GeSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. In the second Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with eight HgSe4 tetrahedra. All Ge–Se bond lengths are 2.41 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Ge4+ atom.
- Publication Date:
- Other Number(s):
- mp-3167
- 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; Ge-Hg-Se; Hg2GeSe4; crystal structure
- OSTI Identifier:
- 1205836
- DOI:
- https://doi.org/10.17188/1205836
Citation Formats
Materials Data on Hg2GeSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205836.
Materials Data on Hg2GeSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1205836
2020.
"Materials Data on Hg2GeSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1205836. https://www.osti.gov/servlets/purl/1205836. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205836,
title = {Materials Data on Hg2GeSe4 by Materials Project},
abstractNote = {Hg2GeSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. In the second Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent GeSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with eight HgSe4 tetrahedra. All Ge–Se bond lengths are 2.41 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two Hg2+ and one Ge4+ atom.},
doi = {10.17188/1205836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}