Materials Data on BiClF8 by Materials Project

Abstract

BiClF8 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one BiClF8 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in an octahedral geometry to six F atoms. There are a spread of Bi–F bond distances ranging from 2.02–2.12 Å. In the second Bi site, Bi is bonded in an octahedral geometry to six F atoms. There are a spread of Bi–F bond distances ranging from 2.02–2.12 Å. Cl is bonded in a rectangular see-saw-like geometry to four F atoms. There are a spread of Cl–F bond distances ranging from 1.62–2.18 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Bi atom. In the second F site, F is bonded in a single-bond geometry to one Bi atom. In the third F site, F is bonded in a single-bond geometry to one Cl atom. In the fourth F site, F is bonded in a single-bond geometry to one Cl atom. In the fifth F site, F is bonded in a single-bond geometry to one Bi atom. In the sixth F site, F is bonded in a single-bond geometry to one Bi atom. In the seventh F site, F is bonded in a bent 150 degrees geometry to one Bi and one Cl atom. In the eighth F site, F is bonded in a distorted bent 150 degrees geometry to one Bi and one Cl atom.