Materials Data on PtS2NO9 by Materials Project

Abstract

(PtS2O9)2N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and one PtS2O9 cluster. In the PtS2O9 cluster, Pt5+ is bonded to five O2- atoms to form PtO5 square pyramids that share corners with four SO4 tetrahedra. There are a spread of Pt–O bond distances ranging from 1.98–2.02 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of S–O bond distances ranging from 1.44–1.58 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of S–O bond distances ranging from 1.44–1.58 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt5+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt5+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt5+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt5+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one Pt5+ atom.