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Figure 1
(a) Rietveld fit of the 5 K NPD pattern with the refined P212121 structure (Rwp = 3.49% and GoF = 4.41). (b) Rietveld fit of the 5 K NPD pattern with the refined Pnma structure (Rwp = 3.57% and GoF = 4.50). The blue line below the data indicates the difference between the observed (dotted black line) and calculated (red line; offset for clarity) patterns. The green tick marks indicate the position of expected reflections from the derived crystal structure.

IUCrJ
Volume 13| Part 1| January 2026| Pages 94-104
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525010486