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DOE OSTI · 1270368

Materials Data on BH9(CO)3 by Materials Project

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Abstract

B(OCH3)3 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two trimethyl borate molecules. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. C2- is bonded in a tetrahedral geometry to three H1+ and one O2- atom. All C–H bond lengths are 1.10 Å. The C–O bond length is 1.44 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. O2- is bonded in a bent 120 degrees geometry to one B3+ and one C2- atom.

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36 MATERIALS SCIENCEB-C-H-OBH9(CO)3crystal structure

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2020-07-24. Materials Data on BH9(CO)3 by Materials Project. https://doi.org/10.17188/1270368

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DOE OSTI2026

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