Materials Data on KBF4 by Materials Project

Abstract

KBF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.79–3.13 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.41 Å) and two longer (1.43 Å) B–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to three equivalent K1+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one K1+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to three equivalent K1+ and one B3+ atom.