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Figure 2
Comparison of the Rietveld-refined structure of (I) (red) to the VASP-optimized structure (blue). The comparison was generated using the Mercury Calculate Mol­ecule Overlay tool; the r.m.s. difference is 1.373 A.

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 82| Part 1| January 2026| Pages 33-39
https://doi.org/10.1107/S2056989025010515
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