Materials Data on VCrC2 by Materials Project
VCrC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V5+ is bonded to six equivalent C4- atoms to form VC6 octahedra that share corners with six equivalent CrC6 octahedra, edges with six equivalent VC6 octahedra, and edges with six equivalent CrC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All V–C bond lengths are 2.07 Å. Cr3+ is bonded to six equivalent C4- atoms to form CrC6 octahedra that share corners with six equivalent VC6 octahedra, edges with six equivalent VC6 octahedra, and edges with six equivalent CrC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Cr–C bond lengths are 2.05 Å. C4- is bonded to three equivalent V5+ and three equivalent Cr3+ atoms to form a mixture of corner and edge-sharing CV3Cr3 octahedra. The corner-sharing octahedral tilt angles are 0°.