HfTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent C(1) atoms to form HfC6 octahedra that share corners with six equivalent Ta(1)C6 octahedra, edges with six equivalent Hf(1)C6 octahedra, and edges with six equivalent Ta(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. Ta(1) is bonded to six equivalent C(1) atoms to form TaC6 octahedra that share corners with six equivalent Hf(1)C6 octahedra, edges with six equivalent Hf(1)C6 octahedra, and edges with six equivalent Ta(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. C(1) is bonded to three equivalent Hf(1) and three equivalent Ta(1) atoms to form a mixture of corner and edge-sharing CHf3Ta3 octahedra. The corner-sharing octahedra are not tilted.
HfTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Hf(1) is bonded to six equivalent C(1) atoms to form HfC6 octahedra that share corners with six equivalent Ta(1)C6 octahedra, edges with six equivalent Hf(1)C6 octahedra, and edges with six equivalent Ta(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Hf(1)-C(1) bond lengths are 2.30 Å. Ta(1) is bonded to six equivalent C(1) atoms to form TaC6 octahedra that share corners with six equivalent Hf(1)C6 octahedra, edges with six equivalent Hf(1)C6 octahedra, and edges with six equivalent Ta(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ta(1)-C(1) bond lengths are 2.24 Å. C(1) is bonded to three equivalent Hf(1) and three equivalent Ta(1) atoms to form a mixture of corner and edge-sharing CHf3Ta3 octahedra. The corner-sharing octahedra are not tilted.