Materials Data on Cs6Br4O by Materials Project
Cs6OBr4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded to one O2- and five Br1- atoms to form a mixture of distorted edge, corner, and face-sharing CsBr5O octahedra. The corner-sharing octahedra tilt angles range from 0–62°. The Cs–O bond length is 2.92 Å. There are a spread of Cs–Br bond distances ranging from 3.63–4.03 Å. O2- is bonded in an octahedral geometry to six equivalent Cs1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 8-coordinate geometry to eight equivalent Cs1+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Cs1+ atoms.
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