HfMoC2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to two equivalent C(1) and four equivalent C(2) atoms to form HfC6 octahedra that share corners with six equivalent Hf(1)C6 octahedra, edges with four equivalent Hf(1)C6 octahedra, and edges with eight equivalent Mo(1)C6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form MoC6 octahedra that share corners with six equivalent Mo(1)C6 octahedra, edges with four equivalent Mo(1)C6 octahedra, and edges with eight equivalent Hf(1)C6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Hf(1) and four equivalent Mo(1) atoms to form CHf2Mo4 octahedra that share corners with six equivalent C(1)Hf2Mo4 octahedra, edges with four equivalent C(1)Hf2Mo4 octahedra, and edges with eight equivalent C(2)Hf4Mo2 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to four equivalent Hf(1) and two equivalent Mo(1) atoms to form CHf4Mo2 octahedra that share corners with six equivalent C(2)Hf4Mo2 octahedra, edges with four equivalent C(2)Hf4Mo2 octahedra, and edges with eight equivalent C(1)Hf2Mo4 octahedra. The corner-sharing octahedra are not tilted.
HfMoC2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to two equivalent C(1) and four equivalent C(2) atoms to form HfC6 octahedra that share corners with six equivalent Hf(1)C6 octahedra, edges with four equivalent Hf(1)C6 octahedra, and edges with eight equivalent Mo(1)C6 octahedra. The corner-sharing octahedra are not tilted. Both Hf(1)-C(1) bond lengths are 2.24 Å. All Hf(1)-C(2) bond lengths are 2.26 Å. Mo(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form MoC6 octahedra that share corners with six equivalent Mo(1)C6 octahedra, edges with four equivalent Mo(1)C6 octahedra, and edges with eight equivalent Hf(1)C6 octahedra. The corner-sharing octahedra are not tilted. Both Mo(1)-C(2) bond lengths are 2.24 Å. All Mo(1)-C(1) bond lengths are 2.26 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Hf(1) and four equivalent Mo(1) atoms to form CHf2Mo4 octahedra that share corners with six equivalent C(1)Hf2Mo4 octahedra, edges with four equivalent C(1)Hf2Mo4 octahedra, and edges with eight equivalent C(2)Hf4Mo2 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to four equivalent Hf(1) and two equivalent Mo(1) atoms to form CHf4Mo2 octahedra that share corners with six equivalent C(2)Hf4Mo2 octahedra, edges with four equivalent C(2)Hf4Mo2 octahedra, and edges with eight equivalent C(1)Hf2Mo4 octahedra. The corner-sharing octahedra are not tilted.