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DOE OSTI · 1325056

Materials Data on B2CN by Materials Project

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Abstract

B2CN is Enargite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to two equivalent C3- and two equivalent N3- atoms to form corner-sharing BC2N2 tetrahedra. Both B–C bond lengths are 1.65 Å. Both B–N bond lengths are 1.56 Å. C3- is bonded to four equivalent B3+ atoms to form CB4 tetrahedra that share corners with four equivalent CB4 tetrahedra and corners with eight equivalent NB4 tetrahedra. N3- is bonded to four equivalent B3+ atoms to form NB4 tetrahedra that share corners with four equivalent NB4 tetrahedra and corners with eight equivalent CB4 tetrahedra.

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36 MATERIALS SCIENCEB-C-NB2CNcrystal structure

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2020-07-23. Materials Data on B2CN by Materials Project. https://doi.org/10.17188/1325056

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