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DOE OSTI · 1733386

Materials Data on Na2ScAgCl6 by Materials Project

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Abstract

(Na)2ScAgCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one ScAgCl6 framework. In the ScAgCl6 framework, Sc3+ is bonded to six equivalent Cl1- atoms to form ScCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Cl bond lengths are 2.48 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent ScCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.69 Å. Cl1- is bonded in a linear geometry to one Sc3+ and one Ag1+ atom.

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36 MATERIALS SCIENCEAg-Cl-Na-Sccrystal structureNa2ScAgCl6

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2020-05-02. Materials Data on Na2ScAgCl6 by Materials Project. https://doi.org/10.17188/1733386

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