U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HgHClO4 by Materials Project
Abstract
HgHO4Cl crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two HgHO4Cl ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.11 Å. H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg and one H atom. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one H and one Cl atom. The O–Cl bond length is 1.52 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.
- Publication Date:
- Other Number(s):
- mp-24294
- 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; Cl-H-Hg-O; HgHClO4; crystal structure
- OSTI Identifier:
- 1200019
- DOI:
- https://doi.org/10.17188/1200019
Citation Formats
Materials Data on HgHClO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200019.
Materials Data on HgHClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1200019
2020.
"Materials Data on HgHClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1200019. https://www.osti.gov/servlets/purl/1200019. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1200019,
title = {Materials Data on HgHClO4 by Materials Project},
abstractNote = {HgHO4Cl crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two HgHO4Cl ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.11 Å. H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg and one H atom. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one H and one Cl atom. The O–Cl bond length is 1.52 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1200019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}