Materials Data on TlSbF6 by Materials Project

Abstract

TlSbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with six equivalent SbF6 octahedra, edges with six equivalent TlF12 cuboctahedra, and faces with two equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are six shorter (3.05 Å) and six longer (3.27 Å) Tl–F bond lengths. Sb5+ is bonded to six equivalent F1- atoms to form SbF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with two equivalent TlF12 cuboctahedra. All Sb–F bond lengths are 1.92 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Sb5+ atom.