Materials Data on KNdTe2 by Materials Project
KNdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form KTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All K–Te bond lengths are 3.56 Å. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Nd–Te bond lengths are 3.20 Å. Te2- is bonded to three equivalent K1+ and three equivalent Nd3+ atoms to form a mixture of corner and edge-sharing TeK3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.