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Figure 5
Connection between the (3+1)D Fourier electron density and structural features in physical space. (a) Fourier electron density contours corresponding to the Zn5 and Zn6 sites in an x3x4 section. (b) The corresponding modulated channel containing Zn5 and Zn6 atoms in physical space. (c) Modulated Zn5 and Zn6 sites in physical space laid over the Fourier electron density map of the xz plane of a 3D density constructed from the (3+1)D model (t-section). Such sections can appear somewhat messy due to the density features being broader than the model's atomic domains. The x4 offset of the cross-section off of the origin in (3+1)D space has been adjusted (t = 0.16) to reveal well separated density peaks along the channel. Vacant Zn6 positions are denoted by red dotted circles.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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