Materials Data on Rb4TmI6 by Materials Project

Abstract

Rb4TmI6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight equivalent I atoms. There are a spread of Rb–I bond distances ranging from 3.78–4.02 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to six equivalent I atoms. All Rb–I bond lengths are 3.66 Å. Tm is bonded in an octahedral geometry to six equivalent I atoms. All Tm–I bond lengths are 3.08 Å. I is bonded to five Rb and one Tm atom to form a mixture of distorted face, edge, and corner-sharing IRb5Tm octahedra. The corner-sharing octahedra tilt angles range from 0–64°.