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DOE OSTI · 1723143

Materials Data on B(HO)2 by Materials Project

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Abstract

B(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight dihydroxyboron molecules. B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.97 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one B and one H atom. In the second O site, O is bonded in a bent 120 degrees geometry to one B and one H atom.

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36 MATERIALS SCIENCEB(HO)2B-H-Ocrystal structure

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2020-04-30. Materials Data on B(HO)2 by Materials Project. https://doi.org/10.17188/1723143

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36 MATERIALS SCIENCE↗