A reliable methodology for high throughput identification of a mixture of crystallographic phases from powder X-ray diffraction data

Laurent Allan Baumes; Manuel Moliner; Nicolas Nicoloyannis; Avelino Corma

doi:10.1039/B812395K

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CrystEngComm

Issue 10, 2008

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A reliable methodology for high throughput identification of a mixture of crystallographic phases from powder X-ray diffraction data

Laurent Allan Baumes , Manuel Moliner , Nicolas Nicoloyannis and Avelino Corma

CrystEngComm, 2008, 10, 1321-1324

DOI: 10.1039/B812395K
Received 18 Jul 2008, Accepted 23 Jul 2008
First published on the web 11 Aug 2008

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Because the inherent complexity of zeolites together with the use of high throughput technology make the performance of existing solutions for the automatic identification of mixture of crystallographic phases questionable, an adequate full profile search-match approach is presented, and its reliability is clearly demonstrated and illustrated on the very complicated case of the zeolite ITQ-33.

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A reliable methodology for high throughput identification of a mixture of crystallographic phases from powder X-ray diffraction data

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