Materials Data on Sb2BrF17 by Materials Project

Abstract

Sb2F11BrF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four BrF6 clusters and four Sb2F11 clusters. In each BrF6 cluster, Br is bonded in an octahedral geometry to six F atoms. There is two shorter (1.75 Å) and four longer (1.76 Å) Br–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Br atom. The F–Br bond length is 1.76 Å. In the second F site, F is bonded in a single-bond geometry to one Br atom. In each Sb2F11 cluster, there are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.89–2.10 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are eleven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a single-bond geometry to one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a bent 150 degrees geometry to two Sb atoms.