U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgSO4 by Materials Project
Abstract
HgSO4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four sulfooxymercury molecules and two HgSO4 ribbons oriented in the (1, 0, 0) direction. In each HgSO4 ribbon, Hg2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.22–2.84 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-1200662
- 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-S; HgSO4; crystal structure
- OSTI Identifier:
- 1738806
- DOI:
- https://doi.org/10.17188/1738806
Citation Formats
Materials Data on HgSO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738806.
Materials Data on HgSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1738806
2020.
"Materials Data on HgSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1738806. https://www.osti.gov/servlets/purl/1738806. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738806,
title = {Materials Data on HgSO4 by Materials Project},
abstractNote = {HgSO4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four sulfooxymercury molecules and two HgSO4 ribbons oriented in the (1, 0, 0) direction. In each HgSO4 ribbon, Hg2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.22–2.84 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Hg2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.},
doi = {10.17188/1738806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}