NdTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded to six equivalent Te(1) atoms to form NdTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Nd(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. Tl(1) is bonded to six equivalent Te(1) atoms to form TlTe6 octahedra that share corners with six equivalent Nd(1)Te6 octahedra, edges with six equivalent Nd(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. Te(1) is bonded to three equivalent Nd(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing TeNd3Tl3 octahedra. The corner-sharing octahedra are not tilted.
NdTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Nd(1) is bonded to six equivalent Te(1) atoms to form NdTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Nd(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Nd(1)-Te(1) bond lengths are 3.20 Å. Tl(1) is bonded to six equivalent Te(1) atoms to form TlTe6 octahedra that share corners with six equivalent Nd(1)Te6 octahedra, edges with six equivalent Nd(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Tl(1)-Te(1) bond lengths are 3.48 Å. Te(1) is bonded to three equivalent Nd(1) and three equivalent Tl(1) atoms to form a mixture of corner and edge-sharing TeNd3Tl3 octahedra. The corner-sharing octahedra are not tilted.