Materials Data on Rb5(TmI4)3 by Materials Project

Abstract

Rb5(TmI4)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six equivalent I atoms. All Rb–I bond lengths are 3.74 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of Rb–I bond distances ranging from 3.65–3.93 Å. Tm is bonded to six I atoms to form edge-sharing TmI6 octahedra. There are a spread of Tm–I bond distances ranging from 3.05–3.09 Å. There are three inequivalent I sites. In the first I site, I is bonded to two equivalent Rb and two equivalent Tm atoms to form distorted corner-sharing IRb2Tm2 trigonal pyramids. In the second I site, I is bonded in a 3-coordinate geometry to one Rb and two equivalent Tm atoms. In the third I site, I is bonded in a 5-coordinate geometry to four Rb and one Tm atom.