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Figure 2
Peak splitting of general hkl and special reflections after relaxation from a cubic to a tetragonal unit cell. For special reflections, some displacements may become 0 or degenerate, forming doublets and singlets. The actual displacements depend on the values of hkl (here hkl = 321), but the split pattern remains the same for a given class of reflections. Intensity scale differs from Fig. 1[link].

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ISSN: 2053-2733
Volume 80| Part 6| November 2024| Pages 439-445
https://doi.org/10.1107/S2053273324008799
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