Materials Data on RbErSe2 by Materials Project
RbErSe2 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 ErSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent ErSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–Se bond lengths are 3.45 Å. Er3+ is bonded to six equivalent Se2- atoms to form ErSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent ErSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Er–Se bond lengths are 2.88 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Er3+ atoms to form a mixture of edge and corner-sharing SeRb3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.