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DOE OSTI · 1667344

Materials Data on Cs3YI6 by Materials Project

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Abstract

(Cs)2CsYI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight cesium molecules and one CsYI6 framework. In the CsYI6 framework, Cs1+ is bonded to six equivalent I1- atoms to form CsI6 octahedra that share corners with six equivalent YI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–I bond lengths are 3.64 Å. Y3+ is bonded to six equivalent I1- atoms to form YI6 octahedra that share corners with six equivalent CsI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–I bond lengths are 3.03 Å. I1- is bonded in a linear geometry to one Cs1+ and one Y3+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-I-YCs3YI6

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2020-05-02. Materials Data on Cs3YI6 by Materials Project. https://doi.org/10.17188/1667344

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