Materials Data on Rb3SbS4 by Materials Project

Rb3SbS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.86 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.37–3.90 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to five Rb1+ and one Sb5+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sb5+ atom. In the third S2- site, S2- is bonded to five Rb1+ and one Sb5+ atom to form edge-sharing SRb5Sb octahedra.