U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgHOF by Materials Project
Abstract
HgHOF crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing HgO3F3 octahedra. The corner-sharing octahedra tilt angles range from 61–63°. There are two shorter (2.14 Å) and one longer (2.91 Å) Hg–O bond lengths. There are a spread of Hg–F bond distances ranging from 2.55–2.57 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.48 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-23844
- 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; F-H-Hg-O; HgHOF; crystal structure
- OSTI Identifier:
- 1199758
- DOI:
- https://doi.org/10.17188/1199758
Citation Formats
Materials Data on HgHOF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199758.
Materials Data on HgHOF by Materials Project. United States. doi:https://doi.org/10.17188/1199758
2020.
"Materials Data on HgHOF by Materials Project". United States. doi:https://doi.org/10.17188/1199758. https://www.osti.gov/servlets/purl/1199758. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199758,
title = {Materials Data on HgHOF by Materials Project},
abstractNote = {HgHOF crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing HgO3F3 octahedra. The corner-sharing octahedra tilt angles range from 61–63°. There are two shorter (2.14 Å) and one longer (2.91 Å) Hg–O bond lengths. There are a spread of Hg–F bond distances ranging from 2.55–2.57 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.48 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom.},
doi = {10.17188/1199758},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}