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Figure 11
Attempts to improve the calculation of the 0kl section. (a) Using a smaller crystal (24 × 24 × 24) with EXPANSION_ORDER = 18. (b) Using a (24 × 24 × 24) crystal with EXPANSION_ORDER = 9 but with all c* components of the atom displacements (away from their average positions) reduced by a factor of 1.5. Note c* is vertical and b* is horizontal.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 78| Part 3| June 2022| Pages 344-355
https://doi.org/10.1107/S2052520621012865
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