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DOE OSTI · 1672945

Materials Data on NaBrO2 by Materials Project

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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.

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36 MATERIALS SCIENCEBr-Na-Ocrystal structureNaBrO2

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2020-04-30. Materials Data on NaBrO2 by Materials Project. https://doi.org/10.17188/1672945

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