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Conference paper

Powder-Pattem-Fitting Methods in Structure Determination

Biserka Gržeta ; Ruđer Bošković Institute, P. O. B. 1016, 41001 Zagreb, Croatia
Hideo Toraya ; Ceramics Research Laboratory, Nagoya Institute of Technology, Asahigaoka, Tajimi 507, Japan

Fulltext: english, pdf (24 MB) pages 273-288 downloads: 274* cite
APA 6th Edition
Gržeta, B. & Toraya, H. (1994). Powder-Pattem-Fitting Methods in Structure Determination. Croatica Chemica Acta, 67 (2), 273-288. Retrieved from https://hrcak.srce.hr/136891
MLA 8th Edition
Gržeta, Biserka and Hideo Toraya. "Powder-Pattem-Fitting Methods in Structure Determination." Croatica Chemica Acta, vol. 67, no. 2, 1994, pp. 273-288. https://hrcak.srce.hr/136891. Accessed 23 Apr. 2021.
Chicago 17th Edition
Gržeta, Biserka and Hideo Toraya. "Powder-Pattem-Fitting Methods in Structure Determination." Croatica Chemica Acta 67, no. 2 (1994): 273-288. https://hrcak.srce.hr/136891
Harvard
Gržeta, B., and Toraya, H. (1994). 'Powder-Pattem-Fitting Methods in Structure Determination', Croatica Chemica Acta, 67(2), pp. 273-288. Available at: https://hrcak.srce.hr/136891 (Accessed 23 April 2021)
Vancouver
Gržeta B, Toraya H. Powder-Pattem-Fitting Methods in Structure Determination. Croatica Chemica Acta [Internet]. 1994 [cited 2021 April 23];67(2):273-288. Available from: https://hrcak.srce.hr/136891
IEEE
B. Gržeta and H. Toraya, "Powder-Pattem-Fitting Methods in Structure Determination", Croatica Chemica Acta, vol.67, no. 2, pp. 273-288, 1994. [Online]. Available: https://hrcak.srce.hr/136891. [Accessed: 23 April 2021]

Abstracts
The Rietveld method is a well known powder-pattem-fitting method which consists in adjusting the complete theoretical diffraction pattern, calculated on the basis of the model for the sample crystal structure, to the experimental powder diffraction pattern. In the fitting procedure, the structure model is being refined. The Rietveld method also enables determination of some other structural properties of the material, like crystallite size and strains, and the quantitative phase analysis of a multicomponent mixture. Complementary fitting methods to the Rietveld method are the individual profile fitting method and the whole-powder-pattern decomposition method, which do not require structural models. The individual profile fitting method enables decomposition of the overlapping diffraction lines in a small range of the powder pattern, while the whole-powder-pattern decomposition method simultaneously decomposes the whole powder pattern into individual lines and refines the unit-cell parameters of the sample. Although the powder-pattern-fitting methods are not methods for direct structure determination, they are very powerful tools in the course of structure determination when the sample is not available in a single crystal form. Several examples of the application of the described methods in structure determination are presented.

Hrčak ID: 136891

URI
https://hrcak.srce.hr/136891

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