Materials Data on RbCeS2 by Materials Project

Abstract

RbCeS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent S2- atoms to form distorted RbS6 octahedra that share corners with six equivalent CeS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Rb–S bond lengths are 3.39 Å. Ce3+ is bonded to six equivalent S2- atoms to form CeS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent CeS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Ce–S bond lengths are 2.88 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Ce3+ atoms to form a mixture of edge and corner-sharing SRb3Ce3 octahedra. The corner-sharing octahedral tilt angles are 0°.