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Figure 5
Evolution of the selected unit-cell parameters with external stimuli: temperature (left) and pressure (right), color-coded by experimental series. Purple points, marked as PRE, were obtained from very short control pre-experiments (<30 reflections per pre-experiment), hence the substantial uncertainties. Hollow points indicate the results of the periodic DFT calculations.

IUCrJ
Volume 11| Part 4| July 2024| Pages 519-527
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524003634