Ab initio structure determination via powder X-ray diffraction

Porob, Digamber G. ; Guru Row, T. N. (2001) Ab initio structure determination via powder X-ray diffraction Proceedings of the Indian Academy of Sciences - Chemical Sciences, 113 (5-6). pp. 435-444. ISSN 0253-4134

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Official URL: http://ns1.ias.ac.in/chemsci/Pdf-OctDec2001/Pc3089...

Related URL: http://dx.doi.org/10.1007/BF02708782


Structure determination by powder X-ray diffraction data has gone through a recent surge since it has become important to get to the structural information of materials which do not yield good quality single crystals. Although the method of structure completion when once the starting model is provided is facile through the Rietveld refinement technique, the structure solutionab initio is still not push-button technology. In this article a survey of the recent development in this area is provided with an illustration of the structure determination of α-NaBi3V2O10.

Item Type:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:Structure Determination; Powder X-Ray Diffraction; Pattern Decomposition; Structure Refinements
ID Code:11913
Deposited On:13 Nov 2010 13:34
Last Modified:16 May 2016 21:19

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