Materials Data on TiVC2 by Materials Project
TiVC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent C4- atoms to form TiC6 octahedra that share corners with six equivalent VC6 octahedra, edges with six equivalent TiC6 octahedra, and edges with six equivalent VC6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ti–C bond lengths are 2.15 Å. V4+ is bonded to six equivalent C4- atoms to form VC6 octahedra that share corners with six equivalent TiC6 octahedra, edges with six equivalent TiC6 octahedra, and edges with six equivalent VC6 octahedra. The corner-sharing octahedral tilt angles are 2°. All V–C bond lengths are 2.10 Å. C4- is bonded to three equivalent Ti4+ and three equivalent V4+ atoms to form a mixture of corner and edge-sharing CTi3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.