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The Application of Ab Initio Direct Methods with Electron Diffraction for Solving Zeolite Structures

Published online by Cambridge University Press:  02 July 2020

Wharton Sinkler*
Affiliation:
UOP LLC, 25 E. Algonquin Rd., Des Plaines, IL, 60017-5017
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Abstract

Recently a number of reports have been made in which direct methods (DM) were used to solve bulk inorganic crystal structures with electron diffraction (ED) data, either ab initio or in a combined approach using phase information from images. This paper reports ab initio application of DM to experimental ED data from the zeolite mordenite. Data from mordenite [001] were taken using a JEOL 3010 TEM at 300 kV. For collecting data, a small condenser and spot size were used to obtain a defocused probe 50 nm in size positioned over the edge of a thin area. Patterns were recorded with a CCD camera. Fig. 1 compares experiment with modeled kinematical data based on a published structure. Phase determination by DM was performed with the minimum relative entropy approach. As a test, ab initio DM was performed on modeled kinematical data.The result, shown in Fig. 2, is not distinguishable from a picture of the projected potential.

Type
Characterization of Catalysts (Organized by S. Bradley)
Copyright
Copyright © Microscopy Society of America 2001

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References

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