15 Properties of Voronoi Polyhedra

• If Voronoi polyhedra are constructed around atoms in a periodic system, such as in a crystal, all the volume in the unit cell will be apportioned to the atoms. There will be no gaps or cavities as there would be if one, for instance, simply drew spheres around the atoms.
• An atom's packing efficiency is the volume of its VDW sphere divided by its Voronoi volume.
• Voronoi volume of an atom is a weighted average of distances to all its neighbors, where the weighting factor is the contact area with the neighbor.