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DOE OSTI · 1272394

Materials Data on C3N4 by Materials Project

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Abstract

C3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded to four equivalent N3- atoms to form corner-sharing CN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All C–N bond lengths are 1.54 Å. In the second C4+ site, C4+ is bonded to six equivalent N3- atoms to form CN6 octahedra that share corners with six equivalent CN4 tetrahedra and edges with six equivalent CN6 octahedra. All C–N bond lengths are 1.66 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four C4+ atoms.

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36 MATERIALS SCIENCEC-NC3N4crystal structure

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2020-07-22. Materials Data on C3N4 by Materials Project. https://doi.org/10.17188/1272394

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