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DOE OSTI · 1745099

Materials Data on Na3AuCl6 by Materials Project

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Abstract

(Na)2NaAuCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one NaAuCl6 framework. In the NaAuCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent AuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.68 Å. Au3+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Au3+ atom.

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36 MATERIALS SCIENCEAu-Cl-Nacrystal structureNa3AuCl6

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2020-05-03. Materials Data on Na3AuCl6 by Materials Project. https://doi.org/10.17188/1745099

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