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DOE OSTI · 1268283

Materials Data on ZrFeF6 by Materials Project

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Abstract

ZrFeF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.05 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.06 Å. F1- is bonded in a linear geometry to one Zr4+ and one Fe2+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Fe-ZrZrFeF6

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2020-07-16. Materials Data on ZrFeF6 by Materials Project. https://doi.org/10.17188/1268283

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