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DOE OSTI · 1276616

Materials Data on NaNbO2 by Materials Project

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Abstract

NaNbO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent NbO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–O bond lengths are 2.35 Å. Nb3+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Nb–O bond lengths are 2.19 Å. O2- is bonded to three equivalent Na1+ and three equivalent Nb3+ atoms to form a mixture of corner and edge-sharing ONa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNa-Nb-ONaNbO2

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2020-07-20. Materials Data on NaNbO2 by Materials Project. https://doi.org/10.17188/1276616

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