Materials Data on HfTiC2 by Materials Project
HfTiC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent C4- atoms to form HfC6 octahedra that share corners with six equivalent TiC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent TiC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Hf–C bond lengths are 2.29 Å. Ti4+ is bonded to six equivalent C4- atoms to form TiC6 octahedra that share corners with six equivalent HfC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent TiC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ti–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Hf4+ and three equivalent Ti4+ atoms to form a mixture of corner and edge-sharing CHf3Ti3 octahedra. The corner-sharing octahedral tilt angles are 0°.