U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H3O2 by Materials Project
Abstract
H3O2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight water water molecules. there are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one H atom. In the second O site, O is bonded in a distorted water-like geometry to three H atoms.
- Publication Date:
- Other Number(s):
- mp-1212478
- 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; H-O; H3O2; crystal structure
- OSTI Identifier:
- 1722109
- DOI:
- https://doi.org/10.17188/1722109
Citation Formats
Materials Data on H3O2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1722109.
Materials Data on H3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1722109
2019.
"Materials Data on H3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1722109. https://www.osti.gov/servlets/purl/1722109. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1722109,
title = {Materials Data on H3O2 by Materials Project},
abstractNote = {H3O2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight water water molecules. there are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the second H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.64 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one H atom. In the second O site, O is bonded in a distorted water-like geometry to three H atoms.},
doi = {10.17188/1722109},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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