KYbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent Se(1) atoms to form distorted KSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent K(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. Se(1) is bonded to three equivalent K(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing SeK3Yb3 octahedra. The corner-sharing octahedra are not tilted.
KYbSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. K(1) is bonded to six equivalent Se(1) atoms to form distorted KSe6 octahedra that share corners with six equivalent Yb(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. All K(1)-Se(1) bond lengths are 3.35 Å. Yb(1) is bonded to six equivalent Se(1) atoms to form YbSe6 octahedra that share corners with six equivalent K(1)Se6 octahedra, edges with six equivalent K(1)Se6 octahedra, and edges with six equivalent Yb(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Yb(1)-Se(1) bond lengths are 2.94 Å. Se(1) is bonded to three equivalent K(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing SeK3Yb3 octahedra. The corner-sharing octahedra are not tilted.