Materials Data on CsBF4 by Materials Project
CsBF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 3.15–3.55 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.41–1.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent Cs1+ and one B3+ atom.
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