Materials Data on Rb3TlF6 by Materials Project

Abstract

Rb3TlF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.79 Å) and four longer (3.50 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Rb–F bond lengths are 2.63 Å. Tl3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.17 Å) and two longer (2.28 Å) Tl–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Rb1+ and one Tl3+ atom. In the second F1- site, F1- is bonded in a linear geometry to five Rb1+ and one Tl3+ atom.