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DOE OSTI · 1685146

Materials Data on NaFeH8(NF3)2 by Materials Project

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Abstract

(NH4)2NaFeF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaFeF6 framework. In the NaFeF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.40 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.90 Å. F1- is bonded in a linear geometry to one Na1+ and one Fe3+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Fe-H-N-NaNaFeH8(NF3)2

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2020-05-03. Materials Data on NaFeH8(NF3)2 by Materials Project. https://doi.org/10.17188/1685146

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