Materials Data on CsBH4 by Materials Project
CsBH4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q4 geometry to twelve equivalent H+0.50+ atoms. All Cs–H bond lengths are 3.18 Å. B3- is bonded in a tetrahedral geometry to four equivalent H+0.50+ atoms. All B–H bond lengths are 1.23 Å. H+0.50+ is bonded in a single-bond geometry to three equivalent Cs1+ and one B3- atom.
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