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DOE OSTI · 1715907

Materials Data on NaLi2MoF6 by Materials Project

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Abstract

(Li)2NaMoF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one NaMoF6 framework. In the NaMoF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent MoF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.17 Å. Mo3+ is bonded to six equivalent F1- atoms to form MoF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–F bond lengths are 2.05 Å. F1- is bonded in a linear geometry to one Na1+ and one Mo3+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Li-Mo-NaNaLi2MoF6

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2018-08-15. Materials Data on NaLi2MoF6 by Materials Project. https://doi.org/10.17188/1715907

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