Lu(AlC)3 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to six equivalent C(1) atoms to form LuC6 octahedra that share corners with six equivalent Al(1)C4 tetrahedra, edges with six equivalent Lu(1)C6 octahedra, and edges with six equivalent Al(1)C4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one C(2) and three equivalent C(1) atoms to form AlC4 tetrahedra that share corners with three equivalent Lu(1)C6 octahedra, corners with seven equivalent Al(1)C4 tetrahedra, and edges with three equivalent Lu(1)C6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second Al site, Al(2) is bonded in a trigonal planar geometry to three equivalent C(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Lu(1) and three equivalent Al(1) atoms to form distorted CLu3Al3 octahedra that share corners with three equivalent C(1)Lu3Al3 octahedra, corners with three equivalent C(2)Al5 trigonal bipyramids, and edges with nine equivalent C(1)Lu3Al3 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to two equivalent Al(1) and three equivalent Al(2) atoms to form CAl5 trigonal bipyramids that share corners with six equivalent C(1)Lu3Al3 octahedra and corners with six equivalent C(2)Al5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°.
Lu(AlC)3 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to six equivalent C(1) atoms to form LuC6 octahedra that share corners with six equivalent Al(1)C4 tetrahedra, edges with six equivalent Lu(1)C6 octahedra, and edges with six equivalent Al(1)C4 tetrahedra. All Lu(1)-C(1) bond lengths are 2.49 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one C(2) and three equivalent C(1) atoms to form AlC4 tetrahedra that share corners with three equivalent Lu(1)C6 octahedra, corners with seven equivalent Al(1)C4 tetrahedra, and edges with three equivalent Lu(1)C6 octahedra. The corner-sharing octahedral tilt angles are 18°. The Al(1)-C(2) bond length is 2.01 Å. All Al(1)-C(1) bond lengths are 2.08 Å. In the second Al site, Al(2) is bonded in a trigonal planar geometry to three equivalent C(2) atoms. All Al(2)-C(2) bond lengths are 1.95 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Lu(1) and three equivalent Al(1) atoms to form distorted CLu3Al3 octahedra that share corners with three equivalent C(1)Lu3Al3 octahedra, corners with three equivalent C(2)Al5 trigonal bipyramids, and edges with nine equivalent C(1)Lu3Al3 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to two equivalent Al(1) and three equivalent Al(2) atoms to form CAl5 trigonal bipyramids that share corners with six equivalent C(1)Lu3Al3 octahedra and corners with six equivalent C(2)Al5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 70°.