New advances in zeolite structure analysis
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Date
2007
Publication Type
Conference Paper
ETH Bibliography
yes
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Abstract
Although methodology for determining the crystal structures of polycrystalline materials has developed rapidly in recent years, zeolites continue to offer a challenge to these methods. The zeolite-specific program Focus, which can be viewed as an intelligent automated model-building procedure, has been particular successful, but it has its limits. An alternative approach, based on the single-crystal charge-flipping algorithm and adapted to accommodate powder diffraction data (pCF), was also shown to work well in tests on known zeolite structures. To address the more complex structures (e.g. with more than 12 topologically distinct T-atoms), however, more information is needed. High-resolution transmission electron microscopy (HRTEM) images are an excellent source of such information. By combining powder diffraction and electron microscopy data in a single program, the structure of TNU-9 has been solved using Focus and the structure of IM-5 using pCF. Both zeolite structures have 24 topologically distinct T-atoms in the asymmetric unit. Details of the methods and of the structure solutions are given.
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published
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Book title
From Zeolites to Porous MOF Materials - The 40th Anniversary of International Zeolite Conference. Proceedings of the 15th International Zeolite Conference
Journal / series
Volume
170
Pages / Article No.
657 - 665
Publisher
Elsevier
Event
15th International Zeolite Conference
Edition / version
Methods
Software
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Date collected
Date created
Subject
Organisational unit
03401 - Steurer, Walter (emeritus)