Materials Data on RbHoSe2 by Materials Project

Abstract

RbHoSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent HoSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–Se bond lengths are 3.45 Å. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Ho–Se bond lengths are 2.89 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing SeRb3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.