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DOE OSTI · 1280074

Materials Data on Cs2SnBr6 by Materials Project

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Abstract

Cs2SnBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with four equivalent SnBr6 octahedra. All Cs–Br bond lengths are 3.98 Å. Sn4+ is bonded to six equivalent Br1- atoms to form SnBr6 octahedra that share faces with eight equivalent CsBr12 cuboctahedra. All Sn–Br bond lengths are 2.66 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.

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36 MATERIALS SCIENCEBr-Cs-Sncrystal structureCs2SnBr6

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2020-07-15. Materials Data on Cs2SnBr6 by Materials Project. https://doi.org/10.17188/1280074

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