24 Problem of unequal atoms in calculating Voronoi volume
- In conventional Voronoi procedure, face is placed halfway between
atoms.
- However, as atoms are not the same size (N, C, O), bisection is not
really "fair." Volume is misallocated to the smaller atom.
- This unfair division is evident in the calculation of
"average" atomic volumes over many crystal structures. An "unfair"
allocation will give a high S.D. about the mean.