Materials Data on ReMoC2 by Materials Project
MoReC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mo5+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent ReC6 octahedra, edges with six equivalent MoC6 octahedra, and edges with six equivalent ReC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Mo–C bond lengths are 2.19 Å. Re3+ is bonded to six equivalent C4- atoms to form ReC6 octahedra that share corners with six equivalent MoC6 octahedra, edges with six equivalent MoC6 octahedra, and edges with six equivalent ReC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Re–C bond lengths are 2.17 Å. C4- is bonded to three equivalent Mo5+ and three equivalent Re3+ atoms to form a mixture of edge and corner-sharing CRe3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.