Materials Data on K2InH2Cl5O by Materials Project
K2InH2OCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.35–3.81 Å. In3+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The In–O bond length is 2.26 Å. There are a spread of In–Cl bond distances ranging from 2.51–2.54 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 In3+ and two equivalent H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one In3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one In3+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one In3+ atom. In the fourth Cl1- site, Cl1- is bonded to four equivalent K1+ and one In3+ atom to form distorted corner-sharing ClK4In square pyramids.