Materials Data on K2SN2O5 by Materials Project

Abstract

K2N2SO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.94–3.21 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a distorted bent 120 degrees geometry to one S2- and one O2- atom. The N–S bond length is 1.79 Å. The N–O bond length is 1.31 Å. In the second N5+ site, N5+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.30 Å. S2- is bonded in a tetrahedral geometry to one N5+ and three O2- atoms. There is two shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S2- atom.