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DOE OSTI · 1288604

Materials Data on NbNO by Materials Project

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Abstract

NbON is Brookite-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Nb5+ is bonded to three equivalent N3- and three equivalent O2- atoms to form a mixture of distorted corner and edge-sharing NbN3O3 octahedra. The corner-sharing octahedra tilt angles range from 10–37°. There are one shorter (1.95 Å) and two longer (2.09 Å) Nb–N bond lengths. There are two shorter (1.99 Å) and one longer (2.45 Å) Nb–O bond lengths. N3- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ atoms. O2- is bonded in a distorted T-shaped geometry to three equivalent Nb5+ atoms.

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36 MATERIALS SCIENCEcrystal structureN-Nb-ONbNO

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2020-07-20. Materials Data on NbNO by Materials Project. https://doi.org/10.17188/1288604

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