Tetrahedral distortion and energetic packing Penalty in "zeolite" frameworks: Linked phenomena?

M.A. Zwijnenburg, A. Simperler, S.A. Wells, R.G. Bell

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

We report a computational study on the distortion of SiO tetrahedra in zeolite frameworks. For all previously observed frameworks, the tetrahedral mismatch was found to span a narrow range (1.0 × 10 to 2.5 × 10 Å) of values, in contrast to the hypothetical frameworks, which were calculated to have a much wider range of mismatch values. The energy of the frameworks was not found to be a function of the tetrahedral distortion for the previously observed and moderately distorted (tetrahedral mismatch
Original languageEnglish
Pages (from-to)14783-14785
Number of pages3
JournalJournal of Physical Chemistry B
Volume109
Issue number31
DOIs
Publication statusPublished - 11 Aug 2005

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