Materials Data on Na2S5 by Materials Project
Na2S5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven S+0.40- atoms. There are a spread of Na–S bond distances ranging from 2.90–3.06 Å. In the second Na1+ site, Na1+ is bonded to six S+0.40- atoms to form corner-sharing NaS6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are a spread of Na–S bond distances ranging from 2.94–3.08 Å. There are three inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two Na1+ and two S+0.40- atoms. There are one shorter (2.07 Å) and one longer (2.08 Å) S–S bond lengths. In the second S+0.40- site, S+0.40- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two equivalent S+0.40- atoms. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to four Na1+ and one S+0.40- atom.