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Figure 2
Variation of different hkl Bragg peak positions extracted from diffraction patterns as a function of α (111: black squares; 220: red squares; 422: green squares). The effect of refraction of the X-ray beam on this shift, [\Delta _{1}(\alpha)], is plotted (black line). The comparison of these two curves clearly shows that a non-negligible part of the observed shift is due to the misalignment of the sample. The least-square fitting refinement was used to extract a value of [\Delta(z)] from the experimental results ([\chi = 10^{{-4}}]). The red line displays the variation of [\Delta _{2}(2\theta _{{hkl}})] versus α. Taking into account these two shifts, it is possible to compute the total shift [\Delta(2\theta _{{hkl}})] (blue line). These calculated shifts are in fair agreement with measured shifts.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 44| Part 6| December 2011| Pages 1205-1210
https://doi.org/10.1107/S0021889811042294
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