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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1180160
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; NaBrO2; Br-Na-O
OSTI Identifier:
1672945
DOI:
https://doi.org/10.17188/1672945

Citation Formats

The Materials Project. Materials Data on NaBrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672945.
The Materials Project. Materials Data on NaBrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1672945
The Materials Project. 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},
author = {The 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}
}