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DOE OSTI · 1714250

Materials Data on KTlF3 by Materials Project

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Abstract

KTlF3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TlF3 framework. In the TlF3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six equivalent F atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.59 Å. In the second Tl site, Tl is bonded to six equivalent F atoms to form corner-sharing TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.20 Å. F is bonded in a linear geometry to two Tl atoms.

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36 MATERIALS SCIENCEcrystal structureF-K-TlKTlF3

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2020-05-03. Materials Data on KTlF3 by Materials Project. https://doi.org/10.17188/1714250

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