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DOE OSTI · 1656167

Materials Data on K2RbScBr6 by Materials Project

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Abstract

(K)2RbScBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one RbScBr6 framework. In the RbScBr6 framework, Rb1+ is bonded to six equivalent Br1- atoms to form RbBr6 octahedra that share corners with six equivalent ScBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Br bond lengths are 3.23 Å. Sc3+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent RbBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.65 Å. Br1- is bonded in a linear geometry to one Rb1+ and one Sc3+ atom.

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36 MATERIALS SCIENCEBr-K-Rb-Sccrystal structureK2RbScBr6

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2020-07-22. Materials Data on K2RbScBr6 by Materials Project. https://doi.org/10.17188/1656167

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DOE OSTI2026

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