Materials Data on Rb2PtI5O2 by Materials Project

Abstract

Rb2PtO2I5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb is bonded in a 1-coordinate geometry to two equivalent O and four I atoms. There are one shorter (2.88 Å) and one longer (3.40 Å) Rb–O bond lengths. There are a spread of Rb–I bond distances ranging from 3.50–3.82 Å. Pt is bonded to six I atoms to form corner-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are a spread of Pt–I bond distances ranging from 2.67–3.23 Å. O is bonded in a 3-coordinate geometry to two equivalent Rb and one I atom. The O–I bond length is 1.84 Å. There are four inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one Pt atom. In the second I site, I is bonded in a distorted trigonal non-coplanar geometry to one Pt and two equivalent O atoms. In the third I site, I is bonded in a 4-coordinate geometry to three equivalent Rb and one Pt atom. In the fourth I site, I is bonded in a distorted see-saw-like geometry to two equivalent Rb and two equivalent Pt atoms.