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DOE OSTI · 1742410

Materials Data on Na2ScAuF6 by Materials Project

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Abstract

(Na)2ScAuF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one ScAuF6 framework. In the ScAuF6 framework, Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent AuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.02 Å. Au1+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Au–F bond lengths are 2.43 Å. F1- is bonded in a distorted linear geometry to one Sc3+ and one Au1+ atom.

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36 MATERIALS SCIENCEAu-F-Na-Sccrystal structureNa2ScAuF6

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2020-05-04. Materials Data on Na2ScAuF6 by Materials Project. https://doi.org/10.17188/1742410

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