Materials Data on RbAg2SbS4 by Materials Project

Abstract

RbAg2SbS4 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.53 Å. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.54–2.74 Å. Sb5+ is bonded in a tetrahedral geometry to four S2- atoms. All Sb–S bond lengths are 2.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Rb1+, two equivalent Ag1+, and one Sb5+ atom to form a mixture of distorted edge and corner-sharing SRb2Ag2Sb trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Ag1+, and one Sb5+ atom.