Materials Data on Rb2FeH2Cl5O by Materials Project
Rb2FeH2OCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.37–3.80 Å. Fe3+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The Fe–O bond length is 2.14 Å. There are a spread of Fe–Cl bond distances ranging from 2.37–2.43 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Fe3+ and two equivalent H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Fe3+ atom. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and one Fe3+ atom to form distorted corner-sharing ClRb4Fe square pyramids. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Fe3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent Rb1+ and one Fe3+ atom.