Materials Data on SrZrN2 by Materials Project
SrZrN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form SrN6 octahedra that share corners with six equivalent ZrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent ZrN6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sr–N bond lengths are 2.64 Å. Zr4+ is bonded to six equivalent N3- atoms to form ZrN6 octahedra that share corners with six equivalent SrN6 octahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent ZrN6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Zr–N bond lengths are 2.30 Å. N3- is bonded to three equivalent Sr2+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing NSr3Zr3 octahedra. The corner-sharing octahedral tilt angles are 0°.