Abstract
Cluster analysis of 194 tetrahedral T structures of zeolites has been performed by the tiling method using the TOPOS program package. An algorithm of the complete expansion of T structures in tiles (complementarily bound polyhedral clusters, which are responsible for the normal (face-to-face) partition of crystal space) and an algorithm for selecting nonintersecting tiles were used. Primary tiles, which number no more than two for any zeolite studied and have packing that completely determines the topology of the entire zeolite structure, have been determined for 41 zeolites. It is established that 24 zeolites are characterized by a single assembly version, 15 have two alternative versions, and IWR and TSC zeolites are characterized by 3 and 4 assembly versions. Isolated zeolites contain 2–11 topologically different T n tiles, where n is the number of tetrahedral T sites per tile; n = 4–168 and the diameter is 6–35 Å. The most numerous group of zeolites is characterized by n values of 4–18. This group contains no tiles with the odd values n = 7–17 and even value n = 6. The other group includes zeolites with large n values: 24, 30, 32, 36, 42, 48, 64, 72, 96, and 168.
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Ilyushin, G.D., Blatov, V.A. Assembly models for zeolite crystal structures according to the data of topological analysis by the tiling method. Crystallogr. Rep. 57, 875–884 (2012). https://doi.org/10.1134/S1063774512070085
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DOI: https://doi.org/10.1134/S1063774512070085