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DOE OSTI · 1719442

Materials Data on B3H10N by Materials Project

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Abstract

NH3B3H7 is Cubic alpha N2-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four azaniumylboron molecules and four B2H5 clusters. In each B2H5 cluster, there are two inequivalent B1- sites. In the first B1- site, B1- is bonded in a distorted trigonal non-coplanar geometry to three H+0.60+ atoms. There is two shorter (1.21 Å) and one longer (1.29 Å) B–H bond length. In the second B1- site, B1- is bonded in a 3-coordinate geometry to three H+0.60+ atoms. There are a spread of B–H bond distances ranging from 1.20–1.40 Å. There are five inequivalent H+0.60+ sites. In the first H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B1- atom. In the second H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B1- atom. In the third H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B1- atom. In the fourth H+0.60+ site, H+0.60+ is bonded in a single-bond geometry to one B1- atom. In the fifth H+0.60+ site, H+0.60+ is bonded in an L-shaped geometry to two B1- atoms.

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36 MATERIALS SCIENCEB-H-NB3H10Ncrystal structure

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2020-04-29. Materials Data on B3H10N by Materials Project. https://doi.org/10.17188/1719442

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36 MATERIALS SCIENCE↗