Materials Data on LiDySe2 by Materials Project
LiDySe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent DySe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.85 Å. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Dy–Se bond lengths are 2.87 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Dy3+ atoms to form a mixture of corner and edge-sharing SeLi3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.