Materials Data on Hf2HC by Materials Project

Abstract

Hf2CH is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf is bonded to three equivalent C and three equivalent H atoms to form a mixture of edge and corner-sharing HfH3C3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–C bond lengths are 2.26 Å. All Hf–H bond lengths are 2.36 Å. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent HHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°. H is bonded to six equivalent Hf atoms to form HHf6 octahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent HHf6 octahedra. The corner-sharing octahedral tilt angles are 4°.