Materials Data on EuTlS2 by Materials Project

Abstract

EuTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu3+ is bonded to six equivalent S2- atoms to form EuS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent EuS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Eu–S bond lengths are 2.86 Å. Tl1+ is bonded to six equivalent S2- atoms to form TlS6 octahedra that share corners with six equivalent EuS6 octahedra, edges with six equivalent EuS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–S bond lengths are 3.23 Å. S2- is bonded to three equivalent Eu3+ and three equivalent Tl1+ atoms to form a mixture of edge and corner-sharing SEu3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.