Materials Data on HfWC2 by Materials Project
HfWC2 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 WC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Hf–C bond lengths are 2.29 Å. W4+ is bonded to six equivalent C4- atoms to form WC6 octahedra that share corners with six equivalent HfC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All W–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Hf4+ and three equivalent W4+ atoms to form a mixture of edge and corner-sharing CHf3W3 octahedra. The corner-sharing octahedral tilt angles are 0°.