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DOE OSTI · 1662494

Materials Data on Na2ScHgF6 by Materials Project

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Abstract

(Na)2ScHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one ScHgF6 framework. In the ScHgF6 framework, Sc2+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.02 Å. Hg2+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.50 Å. F1- is bonded in a linear geometry to one Sc2+ and one Hg2+ atom.

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36 MATERIALS SCIENCEcrystal structureF-Hg-Na-ScNa2ScHgF6

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2020-07-22. Materials Data on Na2ScHgF6 by Materials Project. https://doi.org/10.17188/1662494

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