Perceiving Zeolite Self-Assembly: A Combined Top-Down and Bottom-Up Approach within the Tiling Model
datasetposted on 31.12.2019, 22:29 by Andrey A. Golov, Olga A. Blatova, Vladislav A. Blatov
We present an extended tiling model of the assembly of the zeolite frameworks, where the building units can be natural tiles (minimal cages of the framework) as well as parts of the tiles. We have enumerated all possible methods of splitting each of the 400 natural tiles found in 248 known zeolite frameworks into halves and revealed 199 half-units that can play a role of building units in the zeolite assembly. We have showed that the observed intimate or epitaxial intergrowth of zeolite minerals can be perceived as a result of several possible ways of crystal growth with different methods of connection of the half-units from the same set. We have considered many zeolite pairs, for which the intergrowth was either observed or not revealed yet, and demonstrated that our model properly predicts and interprets the intergrowth phenomena.