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Alternative algorithm for the correction of preferred orientation in Rietveld analysis (2001)

Bergmann, J. ; Monecke, T. ; Kleeberg, R.

Copenhagen : International Union of Crystallography (IUCr)

Applied crystallography online 34 (2001), S. 16-19

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ISSN: 1600-5767

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Geosciences , Physics

Notes: Texture effects caused by preferred orientation can be corrected in Rietveld 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 refinement of selected polycrystal samples. The algorithm was proven to be numerically robust and satisfactorily described deviations from the ideal intensity ratios of the Bragg reflections caused by the texture of the samples.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S002188980001623X

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