Materials Data on Na2SO3 by Materials Project

Abstract

Na2SO3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted water-like geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–3.00 Å. In the second Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (2.28 Å) and two longer (2.29 Å) Na–O bond lengths. S4+ is bonded in a T-shaped geometry to three O2- atoms. There is one shorter (1.54 Å) and two longer (1.64 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to four Na1+ and one S4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Na1+ and one S4+ atom.