U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaO6 by Materials Project
Abstract
BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.71–2.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.
- Publication Date:
- Other Number(s):
- mp-1182164
- 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-O; BaO6; crystal structure
- OSTI Identifier:
- 1744901
- DOI:
- https://doi.org/10.17188/1744901
Citation Formats
Materials Data on BaO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744901.
Materials Data on BaO6 by Materials Project. United States. doi:https://doi.org/10.17188/1744901
2020.
"Materials Data on BaO6 by Materials Project". United States. doi:https://doi.org/10.17188/1744901. https://www.osti.gov/servlets/purl/1744901. Pub date:Fri Jun 05 04:00:00 UTC 2020
@article{osti_1744901,
title = {Materials Data on BaO6 by Materials Project},
abstractNote = {BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.71–2.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.},
doi = {10.17188/1744901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}
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