Cp. Herrero, COORDINATION SEQUENCES OF ZEOLITES REVISITED - ASYMPTOTIC-BEHAVIOR FOR LARGE DISTANCES, Journal of the Chemical Society. Faraday transactions, 90(17), 1994, pp. 2597-2599
Citations number
16
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
The coordination sequences of several zeolite frameworks (faujasite, L
inde type-A, KFI, sodalite and analcime) have been obtained by direct
counting until at least the 23rd coordination sphere. This allows us t
o study the asymptotic behaviour of the number of sites in the ith she
ll, N(i), for high values of i. In all cases, N(i) adapts well to a pa
rabolic law, N(i) = ai2 + b, as expected for three-dimensional lattice
s. The constant a, which ranges from 1.43 for faujasite to 2.40 for an
alcime, is typical for each framework, and is directly related to the
topological density of these materials. For the faujasite framework, w
e find a modulation superimposed on the parabolic dependence, which is
associated with the particular connectivity of this structure.