Alternative algorithm for the correction of preferred orientation in Rietveld analysis

Citation
J. Bergmann et al., Alternative algorithm for the correction of preferred orientation in Rietveld analysis, J APPL CRYS, 34, 2001, pp. 16-19
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF APPLIED CRYSTALLOGRAPHY
ISSN journal
00218898 → ACNP
Volume
34
Year of publication
2001
Part
1
Pages
16 - 19
Database
ISI
SICI code
0021-8898(200102)34:<16:AAFTCO>2.0.ZU;2-S
Abstract
Texture effects caused by preferred orientation can be corrected in Rietvel d analysis by an alternative algorithm presented in this contribution. This algorithm is equivalent to models using symmetrized linear combinations of spherical harmonic functions, but it is unique to all Laue classes and to all orders. Positive definiteness of the polar-axis density is achieved by the exponential method. The outlined algorithm was tested during Rietveld r efinement of selected polycrystal samples. The algorithm was proven to be n umerically robust and satisfactorily described deviations from the ideal in tensity ratios of the Bragg reflections caused by the texture of the sample s.