Materials Data on AgAsSe2 by Materials Project
AgAsSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share corners with six equivalent AsSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent AsSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ag–Se bond lengths are 2.85 Å. As3+ is bonded to six equivalent Se2- atoms to form AsSe6 octahedra that share corners with six equivalent AgSe6 octahedra, edges with six equivalent AgSe6 octahedra, and edges with six equivalent AsSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All As–Se bond lengths are 2.75 Å. Se2- is bonded to three equivalent Ag1+ and three equivalent As3+ atoms to form a mixture of edge and corner-sharing SeAg3As3 octahedra. The corner-sharing octahedral tilt angles are 0°.