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DOE OSTI · 1191333

Materials Data on BeCN2 by Materials Project

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Abstract

BeCN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Be2+ is bonded to four equivalent N3- atoms to form BeN4 tetrahedra that share corners with four equivalent BeN4 tetrahedra and corners with eight equivalent CN4 tetrahedra. All Be–N bond lengths are 1.70 Å. C4+ is bonded to four equivalent N3- atoms to form CN4 tetrahedra that share corners with four equivalent CN4 tetrahedra and corners with eight equivalent BeN4 tetrahedra. All C–N bond lengths are 1.50 Å. N3- is bonded to two equivalent Be2+ and two equivalent C4+ atoms to form corner-sharing NBe2C2 tetrahedra.

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36 MATERIALS SCIENCEBe-C-NBeCN2crystal structure

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2020-07-23. Materials Data on BeCN2 by Materials Project. https://doi.org/10.17188/1191333

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