Naslov
Powder-pattern-fitting methods in the structure determination

Autori
Gržeta, Biserka

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of abstracts. Second Croatian-Slovenian Crystallographic Meeting / Banić, Z. ; Vinković, M. - Zagreb : Hrvatska kristalografska zajednica HAZU, 1993, 4-4

Skup
Second Croatian-Slovenian Crystallographic Meeting

Mjesto i datum
Stubičke Toplice, Hrvatska, 30.09.1993. - 01.10.1993

Vrsta sudjelovanja
Plenarno

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
X-ray powder diffraction; structure solution; Rietveld method

Sažetak
Structure analysis from powder diffraction data is not straightforward because of the problem of diffraction peaks overlapping. The problem can be overcome in a good deal by means of the powder-pattern-fitting methods. The Rietveld method has been the first fitting method for powder diffraction patterns. It consists in adjusting the complete theoretical diffraction pattern, calculated on the basis of the moderl 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 makes possible determination of some other structural properties of the material like crystallite size and strains, and enables 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. Examples of the application of the described methods will be presented, and the precision and accuracy of the methods will be discussed.

Izvorni jezik
Engleski

Znanstvena područja
Fizika

POVEZANOST RADA