Materials Data on Rb2FeCl5O by Materials Project
Rb2FeOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.34–3.91 Å. Fe is bonded in a 6-coordinate geometry to one O and five Cl atoms. The Fe–O bond length is 1.98 Å. There are a spread of Fe–Cl bond distances ranging from 2.31–2.68 Å. O is bonded in a single-bond geometry to one Fe and one Cl atom. The O–Cl bond length is 2.39 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a 6-coordinate geometry to four equivalent Rb, one Fe, and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the fourth Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom.