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DOE OSTI · 1279372

Materials Data on B9C by Materials Project

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Abstract

B9C crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of ten boron molecules, one tetraborylmethane molecule, and one B4C cluster. In the B4C cluster, there are four inequivalent B+0.33+ sites. In the first B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.85 Å. In the second B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.58 Å. In the third B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.52 Å. In the fourth B+0.33+ site, B+0.33+ is bonded in a single-bond geometry to one C3- atom. The B–C bond length is 1.59 Å. C3- is bonded in a 4-coordinate geometry to four B+0.33+ atoms.

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36 MATERIALS SCIENCEB-CB9Ccrystal structure

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2020-05-02. Materials Data on B9C by Materials Project. https://doi.org/10.17188/1279372

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36 MATERIALS SCIENCE↗