Materials Data on TaMoC2 by Materials Project
TaMoC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent MoC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.21 Å. Mo3+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–C bond lengths are 2.22 Å. C4- is bonded to three equivalent Ta5+ and three equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CTa3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.