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Figure 3
Molecule of HAR-refined 2°AP at 293 K at atmospheric pressure (left) and at 0.85 GPa (right). Harmonic ADPs at the 50% probability level. Anharmonic contributions to the total probability distribution function for the O1 and O2 oxygen atoms are represented as red isosurfaces (peanut-shaped) and scaled by 1.5 for better visibility. Their long axes indicate the direction of anharmonic oscillation of each atom.

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