Materials Data on NaTmS2 by Materials Project
NaTmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent TmS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Na–S bond lengths are 2.92 Å. Tm3+ is bonded to six equivalent S2- atoms to form TmS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Tm–S bond lengths are 2.72 Å. S2- is bonded to three equivalent Na1+ and three equivalent Tm3+ atoms to form a mixture of corner and edge-sharing SNa3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.