9.

1 Minimum Polarity Principle 503

states from ten. Therefore, according to band theory, the concentration

of 3d7 sites should be 0.947 x 0.063 x 120 M 1.68%. Generally, the
probability of finding a site in the configuration 36n is

pi,d.(n) = 0.94n x 0.0610-n x (7.': (9.10)

For the concentration of 3d8 sites, we find the appreciable value 9.9%.
We can argue, however, that this is a serious overestimate. Let us
try to envisage how a 3d8 site arises from the band motion of electrons!
Most of the sites are, even in the independent-particle picture, 3d1' and
3 8 (their concentrations being predicted to be 53.8 percent, and 34.4
percent, respectively). A typical snapshot of a small cluster would show
just these two major species

(9.11)
There are two kinds of hopping events which involve the cell in the
middle: either an electron jumps there from the left, according to the
scheme

or an electron jumps away from the third cell to the right, leading
to
rn
pq-71 -+ pqF-1 (9.13)
According to the independent-particle description, given the start-
ing configuration in (9.11), the subsequent hopping events (9.12) and
(9.13) are equally likely to occur. Consideration of energetics should,
however, speak against (9.13), and give preference to (9.12). (9.12) just
rearranges the 8 and dosites, and does not change the ionic energies.
In contrast, the process (9.13) is easily seen to cost intrasite Coulomb
energy. For the sake of simplicity, let us assume that the interaction