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DOE OSTI · 1199206

Materials Data on Cs2PtI6 by Materials Project

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Abstract

Cs2PtI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent PtI6 octahedra. All Cs–I bond lengths are 4.16 Å. Pt4+ is bonded to six equivalent I1- atoms to form PtI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Pt–I bond lengths are 2.71 Å. I1- is bonded to four equivalent Cs1+ and one Pt4+ atom to form a mixture of distorted edge, corner, and face-sharing ICs4Pt square pyramids.

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36 MATERIALS SCIENCEcrystal structureCs-I-PtCs2PtI6

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2020-07-17. Materials Data on Cs2PtI6 by Materials Project. https://doi.org/10.17188/1199206

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