Materials Data on Ta3Al2CoC by Materials Project
Ta3Al2CoC crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta is bonded in a distorted bent 150 degrees geometry to two equivalent Co, four equivalent Al, and two equivalent C atoms. Both Ta–Co bond lengths are 2.98 Å. There are two shorter (2.77 Å) and two longer (2.98 Å) Ta–Al bond lengths. Both Ta–C bond lengths are 2.18 Å. Co is bonded to six equivalent Ta and six equivalent Al atoms to form CoTa6Al6 cuboctahedra that share edges with six equivalent CTa6 octahedra and faces with six equivalent CoTa6Al6 cuboctahedra. All Co–Al bond lengths are 2.50 Å. Al is bonded in a 12-coordinate geometry to six equivalent Ta, three equivalent Co, and three equivalent Al atoms. All Al–Al bond lengths are 2.69 Å. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent CTa6 octahedra and edges with six equivalent CoTa6Al6 cuboctahedra. The corner-sharing octahedral tilt angles are 40°.