U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba(H2O3)2 by Materials Project
Abstract
Ba(H2O3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Ba(H2O3)2 ribbons oriented in the (0, 0, 1) direction. Ba is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ba–O bond distances ranging from 2.75–2.85 Å. There are two 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 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Ba and one O atom. In the third O site, O is bonded in a water-like geometry to one Ba and two H atoms.
- Publication Date:
- Other Number(s):
- mp-625888
- 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; Ba(H2O3)2; Ba-H-O; crystal structure
- OSTI Identifier:
- 1278505
- DOI:
- https://doi.org/10.17188/1278505
Citation Formats
Materials Data on Ba(H2O3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278505.
Materials Data on Ba(H2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278505
2020.
"Materials Data on Ba(H2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278505. https://www.osti.gov/servlets/purl/1278505. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1278505,
title = {Materials Data on Ba(H2O3)2 by Materials Project},
abstractNote = {Ba(H2O3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two Ba(H2O3)2 ribbons oriented in the (0, 0, 1) direction. Ba is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ba–O bond distances ranging from 2.75–2.85 Å. There are two 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 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Ba and one O atom. In the third O site, O is bonded in a water-like geometry to one Ba and two H atoms.},
doi = {10.17188/1278505},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}