Phenomenological model of anisotropic peak broadening in powder diffraction

被引:1139
作者
Stephens, PW [1 ]
机构
[1] Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA
[2] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA
关键词
D O I
10.1107/S0021889898006001
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Anisotropic line-shape broadening (peak width which is not a smooth function of d-spacing) is frequently observed in powder diffraction patterns, and can be a source of considerable difficulty for whole-pattern fitting or Rietveld analysis. A model of the multi-dimensional distribution of lattice metrics within a powder sample is developed, leading naturally to a few parameters which can be varied to achieve optimal line-shape fits. Conditions on these parameters are derived for all crystal systems, and the method is illustrated with two examples: sodium p-hydroxybenzoate and rubidium fulleride.
引用
收藏
页码:281 / 289
页数:9
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