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DOE OSTI · 1268842

Materials Data on ZrCrF6 by Materials Project

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Abstract

CrZrF6 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 CrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.04 Å. Cr2+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 2.12 Å. F1- is bonded in a linear geometry to one Zr4+ and one Cr2+ atom.

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36 MATERIALS SCIENCECr-F-Zrcrystal structureZrCrF6

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2020-07-15. Materials Data on ZrCrF6 by Materials Project. https://doi.org/10.17188/1268842

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