Materials Data on Ti2CN by Materials Project
Ti2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing TiC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–C bond lengths are 2.14 Å. All Ti–N bond lengths are 2.15 Å. C4- is bonded to six equivalent Ti+3.50+ atoms to form CTi6 octahedra that share corners with six equivalent NTi6 octahedra, edges with six equivalent CTi6 octahedra, and edges with six equivalent NTi6 octahedra. The corner-sharing octahedral tilt angles are 0°. N3- is bonded to six equivalent Ti+3.50+ atoms to form NTi6 octahedra that share corners with six equivalent CTi6 octahedra, edges with six equivalent CTi6 octahedra, and edges with six equivalent NTi6 octahedra. The corner-sharing octahedral tilt angles are 0°.