Materials Data on Rb3SbF12 by Materials Project

Abstract

Rb3SbF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a cuboctahedral geometry to twelve F atoms. There are a spread of Rb–F bond distances ranging from 2.85–3.11 Å. In the second Rb site, Rb is bonded in a 2-coordinate geometry to eight F atoms. There are a spread of Rb–F bond distances ranging from 2.70–3.25 Å. Sb is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (1.97 Å) and four longer (2.17 Å) Sb–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a 3-coordinate geometry to two Rb and one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Rb and one Sb atom. In the third F site, F is bonded to four Rb atoms to form a mixture of corner, edge, and face-sharing FRb4 trigonal pyramids.