Al3BC crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent B(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing AlB3C tetrahedra. In the second Al site, Al(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. B(1) is bonded in a 6-coordinate geometry to six equivalent Al(1) atoms. C(1) is bonded to two equivalent Al(1) and three equivalent Al(2) atoms to form corner-sharing CAl5 trigonal bipyramids.
Al3BC crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent B(1) and one C(1) atom to form a mixture of distorted corner and edge-sharing AlB3C tetrahedra. All Al(1)-B(1) bond lengths are 2.19 Å. The Al(1)-C(1) bond length is 2.00 Å. In the second Al site, Al(2) is bonded in a trigonal planar geometry to three equivalent C(1) atoms. All Al(2)-C(1) bond lengths are 2.01 Å. B(1) is bonded in a 6-coordinate geometry to six equivalent Al(1) atoms. C(1) is bonded to two equivalent Al(1) and three equivalent Al(2) atoms to form corner-sharing CAl5 trigonal bipyramids.