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Results for “F-Fe-Zr”

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DOE OSTI2020

Materials Data on ZrFeF6 by Materials Project

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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZrFeF6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗