Materials Data on NaDyS2 by Materials Project
NaDyS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent DyS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent DyS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–S bond lengths are 2.93 Å. Dy3+ is bonded to six equivalent S2- atoms to form DyS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent DyS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Dy–S bond lengths are 2.76 Å. S2- is bonded to three equivalent Na1+ and three equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SNa3Dy3 octahedra. The corner-sharing octahedral tilt angles are 0°.