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DOE OSTI · 1676299

Materials Data on NaSc(NF3)2 by Materials Project

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Abstract

NaScF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one NaScF6 framework. In the NaScF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.27 Å. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.03 Å. F1- is bonded in a linear geometry to one Na1+ and one Sc3+ atom.

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

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2020-05-02. Materials Data on NaSc(NF3)2 by Materials Project. https://doi.org/10.17188/1676299

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