Research & Teaching Faculty

Default Header Image

New structures - new insights: Progress in structure analysis of nanoporous materials

TitleNew structures - new insights: Progress in structure analysis of nanoporous materials
Publication TypeJournal Article
Year of Publication1998
AuthorsGies, H, Marler, B, Vortmann, S, Oberhagemann, U, Bayat, P, Krink, K, Rius, J, Wolf, I, Fyfe, C
JournalMicroporous and Mesoporous Materials
Volume21
Pagination183-197
Date PublishedMay
Type of ArticleProceedings Paper
ISBN Number1387-1811
KeywordsCRYSTAL-STRUCTURE, kanemite, LAYER SILICATE, layer silicates, PATTERSON-FUNCTION ARGUMENTS, POWDER DIFFRACTION, POWDER DIFFRACTION DATA, REFLECTIONS, RESOLUTION, Rietveld analysis, RUB-15, RUB-18, structure solution, TANGENT FORMULA, VNI, zeolite, zeolites
Abstract

In the recent past structure determination of microporous materials has experienced considerable developments in methodology. The FOCUS method: high resolution powder diffraction data used for direct method structure solution in combination with crystal chemistry based modelling. The models are retrieved from electron density maps calculated in direct method runs, energy minimized and checked through for realistic angles and distances values. The SUM-TF method: diffraction patterns at moderate resolution analysed with direct methods using a modified tangent formula which includes Patterson information for the structure solving. In this way the atomic resolution criterion for direct methods is bypassed. This overview gives a summary of the structures successfully solved using these new techniques. (C) 1998 Elsevier Science B.V. All rights reserved.

URL<Go to ISI>://000075730000003