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DOE OSTI · 1729479

Materials Data on BC7 by Materials Project

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Abstract

BC7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. B3+ is bonded to four equivalent C+0.43- atoms to form BC4 tetrahedra that share corners with twelve equivalent CC4 tetrahedra. All B–C bond lengths are 1.60 Å. There are two inequivalent C+0.43- sites. In the first C+0.43- site, C+0.43- is bonded to four equivalent C+0.43- atoms to form CC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent CC4 tetrahedra. All C–C bond lengths are 1.56 Å. In the second C+0.43- site, C+0.43- is bonded to one B3+ and three equivalent C+0.43- atoms to form distorted corner-sharing CBC3 tetrahedra.

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36 MATERIALS SCIENCEB-CBC7crystal structure

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2020-05-03. Materials Data on BC7 by Materials Project. https://doi.org/10.17188/1729479

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