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DOE OSTI · 1726916

Materials Data on HfFeF6 by Materials Project

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Abstract

HfFeF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–F bond lengths are 2.01 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent HfF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.08 Å. F1- is bonded in a linear geometry to one Hf4+ and one Fe2+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Fe-HfHfFeF6

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2020-05-02. Materials Data on HfFeF6 by Materials Project. https://doi.org/10.17188/1726916

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