Materials Data on BiKrF7 by Materials Project

Abstract

KrBiF7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four KrBiF7 clusters. Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.07 Å) Kr–F bond length. Bi is bonded in an octahedral geometry to six F atoms. There are a spread of Bi–F bond distances ranging from 2.02–2.24 Å. There are seven 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 Kr atom. In the third F site, F is bonded in a single-bond geometry to one Bi atom. In the fourth F site, F is bonded in a single-bond geometry to one Bi atom. In the fifth F site, F is bonded in a bent 150 degrees geometry to one Kr and 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 single-bond geometry to one Bi atom.