Alternative algorithm for the correction of preferred orientation in Rietveld analysis

被引:44
作者
Bergmann, J [1 ]
Monecke, T [1 ]
Kleeberg, R [1 ]
机构
[1] Univ Min & Technol, Inst Mineral, D-09596 Freiburg, Germany
关键词
D O I
10.1107/S002188980001623X
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:16 / 19
页数:4
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