Materials Data on Nb4N5 by Materials Project
Nb4N5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Nb+3.75+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing NbN6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are a spread of Nb–N bond distances ranging from 2.10–2.24 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent Nb+3.75+ atoms. In the second N3- site, N3- is bonded to five equivalent Nb+3.75+ atoms to form a mixture of edge and corner-sharing NNb5 square pyramids.
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