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Figure 3
Model-deformation maps, Δρ = ρ[calc,multipole-atom] − ρ[calc, spherical-atom], of (1b). (a) Section of the equatorial plane; (b) section of the O3—Cu1—O5 plane. Solid lines denote positive contours, dashed and dotted lines represent zero and negative contours. Contour intervals: 0.1 e Å−3.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 57| Part 3| May 2001| Pages 288-295
doi:10.1107/S0108768101002737
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