NdTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded to six equivalent S(1) atoms to form edge-sharing NdS6 octahedra. Tl(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Nd(1) and three equivalent Tl(1) atoms.
NdTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded to six equivalent S(1) atoms to form edge-sharing NdS6 octahedra. All Nd(1)-S(1) bond lengths are 2.86 Å. Tl(1) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. All Tl(1)-S(1) bond lengths are 3.27 Å. S(1) is bonded in a 3-coordinate geometry to three equivalent Nd(1) and three equivalent Tl(1) atoms.