Materials Data on Na3SbS4O9 by Materials Project
Na3Sb(SO3)3S crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four hydrogen sulfide molecules and one Na3Sb(SO3)3 framework. In the Na3Sb(SO3)3 framework, there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are three shorter (2.52 Å) and three longer (2.59 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.29 Å. In the third Na1+ site, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.37 Å. Sb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.97 Å. S3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.49–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one S3+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two Na1+ and one S3+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one S3+ atom.