Materials Data on K2SnCl4O by Materials Project

Abstract

K2SnOCl4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Cl1- atoms. Both K–O bond lengths are 2.80 Å. There are a spread of K–Cl bond distances ranging from 3.36–3.69 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to two equivalent O2- and seven Cl1- atoms. Both K–O bond lengths are 2.79 Å. There are a spread of K–Cl bond distances ranging from 3.32–3.78 Å. Sn4+ is bonded to six Cl1- atoms to form edge-sharing SnCl6 octahedra. There are a spread of Sn–Cl bond distances ranging from 2.63–2.74 Å. O2- is bonded in a square co-planar geometry to four K1+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent K1+ and two equivalent Sn4+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Sn4+ atom.