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DOE OSTI · 1751754

Materials Data on NaAlH8(NF3)2 by Materials Project

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Abstract

NaAlF6(NH4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaAlF6 framework. In the NaAlF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.42 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a linear geometry to one Na1+ and one Al3+ atom.

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36 MATERIALS SCIENCEAl-F-H-N-Nacrystal structureNaAlH8(NF3)2

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2020-05-03. Materials Data on NaAlH8(NF3)2 by Materials Project. https://doi.org/10.17188/1751754

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