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Results for “Al-F-Fe-Tl”

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DOE OSTI2020

Materials Data on AlTlFe2F2 by Materials Project

Fe2TlAlF2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe is bonded in a 5-coordinate geometry to one Fe, two equivalent Tl, and two equivalent Al atoms. The Fe–Fe bond length is 2.64 Å. Both Fe–Tl bond lengths are 3.32 Å. Both Fe–Al bond lengths are 2.52 Å. Tl is bonded in a 4-coordinate geometry to four equivalent Fe atoms. Al is bonded in a linear geometry to four equivalent Fe and two equivalent F atoms. Both Al–F bond lengths are 1.76 Å. F is bonded in a single-bond geometry to one Al atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on AlTlFe2F2 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↗