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DOE OSTI · 1202395

Materials Data on Cs2SbBr6 by Materials Project

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Abstract

(Cs)2SbBr6 is Fluorite structured and crystallizes in the tetragonal I4/mmm space group. The structure is zero-dimensional and consists of four cesium molecules and two SbBr6 clusters. In each SbBr6 cluster, Sb2- is bonded in an octahedral geometry to six Br atoms. There are four shorter (2.71 Å) and two longer (2.72 Å) Sb–Br bond lengths. There are four inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Sb2- atom. In the second Br site, Br is bonded in a single-bond geometry to one Sb2- atom. In the third Br site, Br is bonded in a single-bond geometry to one Sb2- atom. In the fourth Br site, Br is bonded in a single-bond geometry to one Sb2- atom.

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36 MATERIALS SCIENCEBr-Cs-Sbcrystal structureCs2SbBr6

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2020-07-20. Materials Data on Cs2SbBr6 by Materials Project. https://doi.org/10.17188/1202395

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DOE OSTI2026

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