Materials Data on RbTlO2 by Materials Project

Abstract

RbTlO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent O2- atoms to form distorted RbO6 octahedra that share corners with six equivalent TlO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Rb–O bond lengths are 2.89 Å. Tl3+ is bonded to six equivalent O2- atoms to form TlO6 octahedra that share corners with six equivalent RbO6 octahedra, edges with six equivalent RbO6 octahedra, and edges with six equivalent TlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. All Tl–O bond lengths are 2.37 Å. O2- is bonded to three equivalent Rb1+ and three equivalent Tl3+ atoms to form a mixture of distorted corner and edge-sharing ORb3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.