Materials Data on Rb2InCl5O by Materials Project

Abstract

Rb2InOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.78 Å. In is bonded in a 6-coordinate geometry to one O and five Cl atoms. The In–O bond length is 2.18 Å. There are a spread of In–Cl bond distances ranging from 2.46–2.82 Å. O is bonded in a single-bond geometry to one In 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 4-coordinate geometry to two equivalent Rb, one In, and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one In atom. In the third Cl site, Cl is bonded to four equivalent Rb and one In atom to form distorted edge-sharing ClRb4In square pyramids. In the fourth Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb and one In atom.