Materials Data on KHoS2 by Materials Project
KHoS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent S2- atoms to form distorted KS6 octahedra that share corners with six equivalent HoS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All K–S bond lengths are 3.21 Å. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with six equivalent KS6 octahedra, edges with six equivalent KS6 octahedra, and edges with six equivalent HoS6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Ho–S bond lengths are 2.76 Å. S2- is bonded to three equivalent K1+ and three equivalent Ho3+ atoms to form a mixture of edge and corner-sharing SK3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.