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DOE OSTI · 1749679

Materials Data on K2TaHgF6 by Materials Project

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Abstract

(K)2TaHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TaHgF6 framework. In the TaHgF6 framework, Ta3+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–F bond lengths are 1.99 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.95 Å. F1- is bonded in a distorted single-bond geometry to one Ta3+ and one Hg1+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Hg-K-TaK2TaHgF6

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2020-05-03. Materials Data on K2TaHgF6 by Materials Project. https://doi.org/10.17188/1749679

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