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DOE OSTI · 1325052

Materials Data on BC2N by Materials Project

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Abstract

BC2N is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. B3+ is bonded to four equivalent C atoms to form BC4 tetrahedra that share corners with four equivalent BC4 tetrahedra and corners with eight equivalent NC4 tetrahedra. All B–C bond lengths are 1.58 Å. C is bonded to two equivalent B3+ and two equivalent N3- atoms to form corner-sharing CB2N2 tetrahedra. Both C–N bond lengths are 1.57 Å. N3- is bonded to four equivalent C atoms to form NC4 tetrahedra that share corners with four equivalent NC4 tetrahedra and corners with eight equivalent BC4 tetrahedra.

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36 MATERIALS SCIENCEB-C-NBC2Ncrystal structure

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2020-07-14. Materials Data on BC2N by Materials Project. https://doi.org/10.17188/1325052

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