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

被引:35
作者
Gies, H [1 ]
Marler, B
Vortmann, S
Oberhagemann, U
Bayat, P
Krink, K
Rius, J
Wolf, I
Fyfe, C
机构
[1] Ruhr Univ Bochum, Inst Mineral, D-44780 Bochum, Germany
[2] CSIC, Inst Ciencia Mat Barcelona, Bellaterra, Catalunya, Spain
[3] Univ British Columbia, Dept Chem, Vancouver, BC, Canada
关键词
powder diffraction; structure solution; Rietveld analysis; zeolites; layer silicates; VNI; RUB-15; RUB-18; kanemite;
D O I
10.1016/S1387-1811(98)00003-1
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
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.
引用
收藏
页码:183 / 197
页数:15
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