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Figure 6
Top: Static deformation density maps (ρMM-ρIAM) with contour intervals of at 0.1 e Å−3. Positive (solid blue), zero (dotted black) and negative (broken red) contours. Bottom: Laplacian maps, [{\nabla ^2}\rho], with logarithmic contour levels. Negative (solid blue), zero (dotted black) and positive (broken red) contours. Both types of maps are calculated in a 2 × 2 × 2 cell. Only atoms within a 0.2 Å distance of the plane defined by C1/C2/C3 are labeled in the plot.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 79| Part 5| October 2023| Pages 380-391
https://doi.org/10.1107/S2052520623006625
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