Materials Data on BNF4 by Materials Project

Abstract

NBF4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NBF4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.35–1.51 Å. N1+ is bonded in a bent 150 degrees geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one B3+ and one N1+ atom.