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DOE OSTI · 1714247

Materials Data on Nb2N by Materials Project

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Abstract

Nb2N is beta Vanadium nitride structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Nb is bonded in a distorted T-shaped geometry to three N atoms. There are one shorter (2.17 Å) and two longer (2.18 Å) Nb–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded to six equivalent Nb atoms to form corner-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second N site, N is bonded to six equivalent Nb atoms to form a mixture of edge and corner-sharing NNb6 octahedra. The corner-sharing octahedral tilt angles are 48°.

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36 MATERIALS SCIENCEcrystal structureN-NbNb2N

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2020-04-29. Materials Data on Nb2N by Materials Project. https://doi.org/10.17188/1714247

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