Materials Data on NaPrSe2 by Materials Project
NaPrSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent PrSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.10 Å. Pr3+ is bonded to six equivalent Se2- atoms to form PrSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent PrSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Pr–Se bond lengths are 3.00 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of corner and edge-sharing SeNa3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.