ALGEBRAIC DESCRIPTION OF COORDINATION SEQUENCES AND EXACT TOPOLOGICALDENSITIES FOR ZEOLITES

Citation
Rw. Grossekunstleve et al., ALGEBRAIC DESCRIPTION OF COORDINATION SEQUENCES AND EXACT TOPOLOGICALDENSITIES FOR ZEOLITES, Acta crystallographica. Section A, Foundations of crystallography, 52, 1996, pp. 879-889
Citations number
28
Categorie Soggetti
Crystallography
ISSN journal
01087673
Volume
52
Year of publication
1996
Part
6
Pages
879 - 889
Database
ISI
SICI code
0108-7673(1996)52:<879:ADOCSA>2.0.ZU;2-D
Abstract
Coordination sequences (CS) have been calculated for all approved zeol ite topologies, all dense SiO2 polymorphs and 16 selected non-tetrahed ral structures and the algebraic structure of these CS's has been anal yzed. Two algebraic descriptions of coordination sequences are present ed. One description uses periodic sets of quadratic equations and is a lready established in the Literature. The second description employs g enerating functions, which are well known in combinatorics but are use d here for the first time in connection with coordination sequences. T he algebraic analysis based on generating functions turns out to be mo re powerful than the other approach. Based on the algebraic analyses, exact topological densities are derived and tabulated for all the stru ctures investigated. In addition, 'n-dimensional sodalite' is observed to have an especially simple n-dimensional graph.