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 two-dimensional and consists of two Ba(H2O3)2 sheets oriented in the (1, 0, 0) direction. Ba is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.84 Å) and four longer (2.87 Å) Ba–O bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.13 Å) and one longer (1.32 Å) H–O bond length. In the second H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.61 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Ba and one H atom. In the second O site, O is bonded in a single-bond geometry to one Ba and one H atom. In the third O site, O is bonded in a 1-coordinate geometry to one Ba and two H atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-625809
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ba(H2O3)2; Ba-H-O
- OSTI Identifier:
- 1278471
- DOI:
- https://doi.org/10.17188/1278471
Citation Formats
The Materials Project. Materials Data on Ba(H2O3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278471.
The Materials Project. Materials Data on Ba(H2O3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278471
The Materials Project. 2020.
"Materials Data on Ba(H2O3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278471. https://www.osti.gov/servlets/purl/1278471. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1278471,
title = {Materials Data on Ba(H2O3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(H2O3)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Ba(H2O3)2 sheets oriented in the (1, 0, 0) direction. Ba is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.84 Å) and four longer (2.87 Å) Ba–O bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.13 Å) and one longer (1.32 Å) H–O bond length. In the second H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.03 Å) and one longer (1.61 Å) H–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent Ba and one H atom. In the second O site, O is bonded in a single-bond geometry to one Ba and one H atom. In the third O site, O is bonded in a 1-coordinate geometry to one Ba and two H atoms.},
doi = {10.17188/1278471},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}