Materials Data on Na4S2O5 by Materials Project

Abstract

Na4S2O5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.73 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.84 Å. In the third Na1+ site, Na1+ is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.75 Å. In the fourth Na1+ site, Na1+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.86 Å. There are two inequivalent S3+ sites. In the first S3+ site, S3+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.61 Å) and one longer (1.62 Å) S–O bond length. In the second S3+ site, S3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.53–1.55 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one S3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Na1+ and one S3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one S3+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one S3+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one S3+ atom.