LiTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with six equivalent Tb(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Tb(1) is bonded to six equivalent Se(1) atoms to form TbSe6 octahedra that share corners with six equivalent Li(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. Se(1) is bonded to three equivalent Li(1) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra are not tilted.
LiTbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent Se(1) atoms to form LiSe6 octahedra that share corners with six equivalent Tb(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li(1)-Se(1) bond lengths are 2.84 Å. Tb(1) is bonded to six equivalent Se(1) atoms to form TbSe6 octahedra that share corners with six equivalent Li(1)Se6 octahedra, edges with six equivalent Li(1)Se6 octahedra, and edges with six equivalent Tb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Tb(1)-Se(1) bond lengths are 2.87 Å. Se(1) is bonded to three equivalent Li(1) and three equivalent Tb(1) atoms to form a mixture of corner and edge-sharing SeLi3Tb3 octahedra. The corner-sharing octahedra are not tilted.