Materials Data on RbHoS2 by Materials Project

Abstract

RbHoS2 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 HoS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–S bond lengths are 3.34 Å. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with six equivalent RbS6 octahedra, edges with six equivalent RbS6 octahedra, and edges with six equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Ho–S bond lengths are 2.77 Å. S2- is bonded to three equivalent Rb1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing SRb3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.