Materials Data on Rb2Sb4S7 by Materials Project

Abstract

Rb2Sb4S7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.99 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.84 Å. In the second Sb3+ site, Sb3+ is bonded in a see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.45–2.87 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and two Sb3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and two Sb3+ atoms. In the third S2- site, S2- is bonded in an octahedral geometry to two equivalent Rb1+ and four Sb3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Sb3+ atoms.