U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgSeO3 by Materials Project
Abstract
HgSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.21–2.74 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one Se4+ atom.
- Publication Date:
- Other Number(s):
- mp-10798
- 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; Hg-O-Se; HgSeO3; crystal structure
- OSTI Identifier:
- 1187370
- DOI:
- https://doi.org/10.17188/1187370
Citation Formats
Materials Data on HgSeO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187370.
Materials Data on HgSeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1187370
2020.
"Materials Data on HgSeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1187370. https://www.osti.gov/servlets/purl/1187370. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1187370,
title = {Materials Data on HgSeO3 by Materials Project},
abstractNote = {HgSeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.21–2.74 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one Se4+ atom.},
doi = {10.17188/1187370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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