Materials Data on Zr2BN by Materials Project
Zr2BN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr3+ is bonded to three equivalent B3- and three equivalent N3- atoms to form a mixture of edge and corner-sharing ZrB3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–B bond lengths are 2.40 Å. All Zr–N bond lengths are 2.36 Å. B3- is bonded to six equivalent Zr3+ atoms to form BZr6 octahedra that share corners with six equivalent NZr6 octahedra, edges with six equivalent BZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 2°. N3- is bonded to six equivalent Zr3+ atoms to form NZr6 octahedra that share corners with six equivalent BZr6 octahedra, edges with six equivalent BZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 2°.