Electronic Resource
Copenhagen
:
International Union of Crystallography (IUCr)
Applied crystallography online
16 (1983), S. 458-472
ISSN:
1600-5767
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Geosciences
,
Physics
Notes:
A procedure for Rietveld refinement from Debye–Scherrer X-ray diffraction patterns is described, in which the effects of instrumental aberrations on the peak shapes and positions are calculated and incorporated into the refinement model. These aberrations, neglected in previous Rietveld refinement programs, can produce severe systematic errors in both the structural and non-structural parameters derived. Results presented from four materials (SiO2, AlPO4, Al2O3, LiTaO3) are in good agreement with single-crystal values and are an improvement over those previously obtained by X-ray powder diffraction.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0021889883010845
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