Materials Data on BiF4 by Materials Project

Abstract

BiF4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one BiF4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.17 Å) and four longer (2.18 Å) Bi–F bond lengths. In the second Bi site, Bi is bonded in a body-centered cubic geometry to eight F atoms. There are a spread of Bi–F bond distances ranging from 2.35–2.38 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the second F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the third F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the fourth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the fifth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the sixth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the seventh F site, F is bonded in a bent 120 degrees geometry to two Bi atoms. In the eighth F site, F is bonded in a bent 120 degrees geometry to two Bi atoms.