Materials Data on NdTlTe2 by Materials Project
NdTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent NdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Nd–Te bond lengths are 3.20 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent NdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.51 Å. Te2- is bonded to three equivalent Nd3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeNd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.