Ta2GaC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent C atoms. All Ta–Ga bond lengths are 2.83 Å. All Ta–C bond lengths are 2.18 Å. Ga is bonded in a 12-coordinate geometry to six equivalent Ta atoms. C is bonded to six equivalent Ta atoms to form edge-sharing CTa6 octahedra.