Materials Data on Cs2S5 by Materials Project
Cs2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.58–4.05 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of Cs–S bond distances ranging from 3.52–4.13 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 7-coordinate geometry to six Cs1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the second S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Cs1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the third S+0.40- site, S+0.40- is bonded in a 5-coordinate geometry to three Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one Cs1+ and two S+0.40- atoms. The S–S bond length is 2.09 Å. In the fifth S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to four Cs1+ and two S+0.40- atoms.