The Zeolite Conundrum: Why Are There so Many Hypothetical Zeolites and so Few Observed? A Possible Answer from the Zeolite Type Frameworks Perceived As Packings of Tiles

摘要

In the attempt to explain why there are so many hypothetical zeolites and so few observed, a model of assembling zeolite-type frameworks as a packing of natural building units (smallest cages) and/or essential rings (smallest windows) is proposed. The packing units have no common T atoms, hence the model takes into account the process of polycondensation of T~(4+)(OH)4 or [T~(3+(OH)4]~- complex groups resulting in oligomeric T_nO_m(OH)_k units, eliminating water molecules, and forming T—O—T bridges. The packings were modeled for all zeolite minerals and most of the synthetic zeolite-type frameworks accounting for 163 zeolites of the 201 known. It is shown that the extra-framework cations can play a role of templates for the packing units. Application of the model to 1220 hypothetical zeolites shows that only a small set could be explained as packing of tiles, suggesting a possible ranking of feasibility that may help to unravel the zeolite conundrum.