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Figure 18
Fit of AMFs of Si01 (red lines) to the electron density for all three superspace sections. Each of the three diagrams is a variation of the superspace representation shown in Fig. 7[link], to which the observed electron density has been added. For a better illustration two periods are drawn along x4. Note that not all the details of the electron density can be accurately described with only one harmonic function. The horizontal width corresponds to 3 Å in all three pictures, showing the different amplitudes along the three dimensions of physical space and the large amplitude of the deviation from the average position along x3. Hypothetical examples of electron-density distributions requiring the use of of sawtooth and crenel type AMFs are shown in Fig. S2 of the supplementary material .

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 65| Part 3| May 2009| Pages 249-268
doi:10.1107/S0108768109015614
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