Materials Data on BaAlSi by Materials Project

BaAlSi crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing BaAl6Si6 cuboctahedra. All Ba–Al bond lengths are 3.60 Å. All Ba–Si bond lengths are 3.60 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Si atoms. All Al–Si bond lengths are 2.50 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Al atoms.