Materials Data on NaBF4 by Materials Project
NaBF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.34–2.62 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. All B–F bond lengths are 1.42 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one B3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Na1+ and one B3+ atom.
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