Cr2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded in a 3-coordinate geometry to three equivalent Al(1) and three equivalent C(1) atoms. Al(1) is bonded to six equivalent Cr(1) and six equivalent Al(1) atoms to form AlAl6Cr6 cuboctahedra that share corners with six equivalent Al(1)Al6Cr6 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Al(1)Al6Cr6 cuboctahedra, edges with six equivalent C(1)Cr6 octahedra, and faces with six equivalent Al(1)Al6Cr6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. C(1) is bonded to six equivalent Cr(1) atoms to form CCr6 octahedra that share corners with six equivalent Al(1)Al6Cr6 cuboctahedra, edges with six equivalent Al(1)Al6Cr6 cuboctahedra, and edges with six equivalent C(1)Cr6 octahedra.
Cr2AlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Cr(1) is bonded in a 3-coordinate geometry to three equivalent Al(1) and three equivalent C(1) atoms. All Cr(1)-Al(1) bond lengths are 2.64 Å. All Cr(1)-C(1) bond lengths are 1.95 Å. Al(1) is bonded to six equivalent Cr(1) and six equivalent Al(1) atoms to form AlAl6Cr6 cuboctahedra that share corners with six equivalent Al(1)Al6Cr6 cuboctahedra, corners with six equivalent C(1)Cr6 octahedra, edges with six equivalent Al(1)Al6Cr6 cuboctahedra, edges with six equivalent C(1)Cr6 octahedra, and faces with six equivalent Al(1)Al6Cr6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Al(1)-Al(1) bond lengths are 2.83 Å. C(1) is bonded to six equivalent Cr(1) atoms to form CCr6 octahedra that share corners with six equivalent Al(1)Al6Cr6 cuboctahedra, edges with six equivalent Al(1)Al6Cr6 cuboctahedra, and edges with six equivalent C(1)Cr6 octahedra.