Materials Data on V2CN by Materials Project

Abstract

V2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing VC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All V–C bond lengths are 2.03 Å. All V–N bond lengths are 2.12 Å. C4- is bonded to six equivalent V+3.50+ atoms to form CV6 octahedra that share corners with six equivalent NV6 octahedra, edges with six equivalent CV6 octahedra, and edges with six equivalent NV6 octahedra. The corner-sharing octahedral tilt angles are 4°. N3- is bonded to six equivalent V+3.50+ atoms to form NV6 octahedra that share corners with six equivalent CV6 octahedra, edges with six equivalent CV6 octahedra, and edges with six equivalent NV6 octahedra. The corner-sharing octahedral tilt angles are 4°.