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DOE OSTI · 1725329

Materials Data on MoN by Materials Project

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Abstract

MoN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing MoN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 44°. All Mo–N bond lengths are 2.16 Å. In the second Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing MoN6 octahedra. All Mo–N bond lengths are 2.22 Å. N3- is bonded to six Mo3+ atoms to form a mixture of distorted corner, edge, and face-sharing NMo6 pentagonal pyramids.

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36 MATERIALS SCIENCEcrystal structureMo-NMoN

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2020-05-03. Materials Data on MoN by Materials Project. https://doi.org/10.17188/1725329

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