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DOE OSTI · 1728076

Materials Data on ZrNiF6 by Materials Project

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Abstract

ZrNiF6 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 NiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.04 Å. Ni2+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–F bond lengths are 2.02 Å. F1- is bonded in a linear geometry to one Zr4+ and one Ni2+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Ni-ZrZrNiF6

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2020-05-09. Materials Data on ZrNiF6 by Materials Project. https://doi.org/10.17188/1728076

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