Materials Data on KYTe2 by Materials Project
KYTe2 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 YTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent YTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All K–Te bond lengths are 3.54 Å. Y3+ is bonded to six equivalent Te2- atoms to form YTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent YTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Y–Te bond lengths are 3.12 Å. Te2- is bonded to three equivalent K1+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing TeK3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.