Materials Data on Rb2PdI6 by Materials Project

Abstract

Rb2PdI6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 3.68–4.41 Å. Pd4+ is bonded in a distorted square pyramidal geometry to five I1- atoms. There are a spread of Pd–I bond distances ranging from 2.65–3.13 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, one Pd4+, and one I1- atom. The I–I bond length is 2.89 Å. In the second I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two I1- atoms. The I–I bond length is 3.25 Å. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Pd4+, and one I1- atom. In the fourth I1- site, I1- is bonded in a 3-coordinate geometry to four equivalent Rb1+ and one Pd4+ atom. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Rb1+ and one Pd4+ atom.