Materials Data on Rb3SbS3 by Materials Project

Abstract

Rb3SbS3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 34–40°. There are three shorter (3.34 Å) and three longer (3.49 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are three shorter (3.33 Å) and three longer (3.52 Å) Rb–S bond lengths. In the third Rb1+ site, Rb1+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 34–62°. There are three shorter (3.67 Å) and three longer (3.72 Å) Rb–S bond lengths. Sb3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.46 Å. S2- is bonded to six Rb1+ and one Sb3+ atom to form a mixture of distorted face, edge, and corner-sharing SRb6Sb pentagonal bipyramids.