Materials Data on RbTmI3 by Materials Project

Abstract

RbTmI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.12 Å. Tm is bonded to six I atoms to form corner-sharing TmI6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (3.06 Å) and four longer (3.07 Å) Tm–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Rb and two equivalent Tm atoms. In the second I site, I is bonded in a distorted square co-planar geometry to two equivalent Rb and two equivalent Tm atoms.