Materials Data on RbYbS2 by Materials Project

Abstract

RbYbS2 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 YbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent YbS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–S bond lengths are 3.37 Å. Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent YbS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Yb–S bond lengths are 2.83 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Yb3+ atoms to form a mixture of distorted corner and edge-sharing SRb3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.