Materials Data on CsBO6 by Materials Project
CsBO6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cs is bonded in a 4-coordinate geometry to sixteen O atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.43 Å. B is bonded in a tetrahedral geometry to four equivalent O atoms. All B–O bond lengths are 1.45 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Cs atoms to form a mixture of edge and corner-sharing OCs4 tetrahedra. In the second O site, O is bonded in a single-bond geometry to two equivalent Cs and one B atom.
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