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DOE OSTI · 1696600

Materials Data on AlTlFe2F2 by Materials Project

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Abstract

Fe2TlAlF2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Fe is bonded to three equivalent Fe, one Tl, and three equivalent Al atoms to form a mixture of distorted corner and edge-sharing FeAl3TlFe3 hexagonal pyramids. There are one shorter (2.73 Å) and two longer (2.78 Å) Fe–Fe bond lengths. The Fe–Tl bond length is 3.06 Å. There are a spread of Fe–Al bond distances ranging from 2.71–2.80 Å. Tl is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Al is bonded in a linear geometry to six equivalent Fe and two equivalent F atoms. Both Al–F bond lengths are 1.82 Å. F is bonded in a single-bond geometry to one Al atom.

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36 MATERIALS SCIENCEAl-F-Fe-TlAlTlFe2F2crystal structure

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2019-01-12. Materials Data on AlTlFe2F2 by Materials Project. https://doi.org/10.17188/1696600

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