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DOE OSTI · 1697518

Materials Data on Na2TlHgF6 by Materials Project

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Abstract

(Na)2HgTlF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one HgTlF6 framework. In the HgTlF6 framework, Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.31 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.29 Å. F1- is bonded in a linear geometry to one Hg1+ and one Tl3+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Hg-Na-TlNa2TlHgF6

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2020-05-03. Materials Data on Na2TlHgF6 by Materials Project. https://doi.org/10.17188/1697518

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