U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaBrO2 by Materials Project
Abstract
NaO2Br crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded to four O atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.29–2.46 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Br atom. The O–Br bond length is 1.76 Å. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Na and one Br atom. The O–Br bond length is 1.74 Å. Br is bonded in a water-like geometry to two O atoms.
- Publication Date:
- Other Number(s):
- mp-1180160
- 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; Br-Na-O; NaBrO2; crystal structure
- OSTI Identifier:
- 1672945
- DOI:
- https://doi.org/10.17188/1672945
Citation Formats
Materials Data on NaBrO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672945.
Materials Data on NaBrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1672945
2020.
"Materials Data on NaBrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1672945. https://www.osti.gov/servlets/purl/1672945. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672945,
title = {Materials Data on NaBrO2 by Materials Project},
abstractNote = {NaO2Br crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded to four O atoms to form a mixture of distorted corner and edge-sharing NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.29–2.46 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Br atom. The O–Br bond length is 1.76 Å. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Na and one Br atom. The O–Br bond length is 1.74 Å. Br is bonded in a water-like geometry to two O atoms.},
doi = {10.17188/1672945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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