Materials Data on CsSbS2 by Materials Project

Abstract

CsSbS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.65–3.94 Å. Sb3+ is bonded in a distorted see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.40–3.13 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Sb3+ atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and two equivalent Sb3+ atoms.