Materials Data on PuTaC2 by Materials Project
PuTaC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent C4- atoms to form PuC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent PuC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Pu–C bond lengths are 2.44 Å. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent PuC6 octahedra, edges with six equivalent PuC6 octahedra, and edges with six equivalent TaC6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Ta–C bond lengths are 2.27 Å. C4- is bonded to three equivalent Pu3+ and three equivalent Ta5+ atoms to form a mixture of corner and edge-sharing CPu3Ta3 octahedra. The corner-sharing octahedral tilt angles are 0°.