Materials Data on Rb3NbF12 by Materials Project

Rb3NbF8(F2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four fluorine-19 molecules and one Rb3NbF8 framework. In the Rb3NbF8 framework, there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight F atoms. There are four shorter (2.90 Å) and four longer (3.03 Å) Rb–F bond lengths. In the second Rb site, Rb is bonded in a 4-coordinate geometry to four F atoms. There are two shorter (2.64 Å) and two longer (2.82 Å) Rb–F bond lengths. Nb is bonded in a body-centered cubic geometry to eight F atoms. There are four shorter (2.05 Å) and four longer (2.08 Å) Nb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a 2-coordinate geometry to two Rb and one Nb atom. In the second F site, F is bonded in a 1-coordinate geometry to two Rb and one Nb atom.