Materials Data on CSNO3 by Materials Project

Abstract

CNSO3 is beta Polonium structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CNSO3 clusters. C3+ is bonded in a distorted bent 120 degrees geometry to one N5+ and one O2- atom. The C–N bond length is 1.29 Å. The C–O bond length is 1.31 Å. N5+ is bonded in a water-like geometry to one C3+ and one S2- atom. The N–S bond length is 1.65 Å. S2- is bonded in a distorted tetrahedral geometry to one N5+ and three O2- atoms. There are a spread of S–O bond distances ranging from 1.42–1.84 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one C3+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.