Materials Data on Al3BC by Materials Project
Al3BC crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent B and one C atom to form a mixture of distorted corner and edge-sharing AlB3C tetrahedra. All Al–B bond lengths are 2.20 Å. The Al–C bond length is 2.02 Å. In the second Al site, Al is bonded in a trigonal planar geometry to three equivalent C atoms. All Al–C bond lengths are 2.02 Å. B is bonded in a 6-coordinate geometry to six equivalent Al atoms. C is bonded to five Al atoms to form corner-sharing CAl5 trigonal bipyramids.
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