Materials Data on B5F6 by Materials Project

Abstract

B5F6 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four B5F6 clusters. there are three inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to five B atoms. There are a spread of B–B bond distances ranging from 1.60–1.79 Å. In the second B site, B is bonded in a bent 120 degrees geometry to two equivalent B and two equivalent F atoms. Both B–F bond lengths are 1.35 Å. In the third B site, B is bonded in a bent 120 degrees geometry to one B and two F atoms. There is one shorter (1.33 Å) and one longer (1.34 Å) B–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a single-bond geometry to one B atom.