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Figure 5
Comparison of the Rietveld-refined (red) and VASP-optimized (blue) structures of psilocybin Polymorph A. The r.m.s. Cartesian displacement is 0.053 Å.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 78| Part 1| January 2022| Pages 36-55
https://doi.org/10.1107/S2053229621013164
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