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Figure 2
Residual Δρ(r) localized about N1 and calculated with reference to the high-symmetry P63/m IAM models at (a) 150, (c) 200 and (e) 295 K, and for the P63 models at (b) 150, (d) 200 and (f) 295 K. Contours: 0.1 e Å-3; positive densities: continuous; negative densities: dotted; zero level: dashed. Map borders: 4.0 × 4.0 Å2.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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