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DOE OSTI · 1700799

Materials Data on K2ScTlBr6 by Materials Project

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Abstract

(K)2ScTlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one ScTlBr6 framework. In the ScTlBr6 framework, Sc3+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.66 Å. Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent ScBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.16 Å. Br1- is bonded in a linear geometry to one Sc3+ and one Tl1+ atom.

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36 MATERIALS SCIENCEBr-K-Sc-Tlcrystal structureK2ScTlBr6

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2020-05-03. Materials Data on K2ScTlBr6 by Materials Project. https://doi.org/10.17188/1700799

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