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DOE OSTI · 1745563

Materials Data on NaV(NF3)2 by Materials Project

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Abstract

NaVF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one NaVF6 framework. In the NaVF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent VF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.41 Å. V5+ is bonded to six equivalent F1- atoms to form VF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–F bond lengths are 1.82 Å. F1- is bonded in a linear geometry to one Na1+ and one V5+ atom.

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36 MATERIALS SCIENCEcrystal structureF-N-Na-VNaV(NF3)2

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2020-05-02. Materials Data on NaV(NF3)2 by Materials Project. https://doi.org/10.17188/1745563

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