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Figure 7
(a) This is the full calculated 2θ profile from N = 100 crystal planes a distance d = 0.31356 nm apart and scattering strength of unity, interlaced with planes at 0.75d also of strength unity. This is the pattern expected from Si along the 〈111〉 direction. (b) If the atoms are not confined to the planes but their electron density spreads symmetrically from these positions, then the 222 diffraction peak appears. This simulation includes additional scattering planes at 0.002d, 0.748d, 0.752d and 0.998d, with scattering strengths of 0.1.

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ISSN: 2053-2733
Volume 74| Part 5| September 2018| Pages 481-498
https://doi.org/10.1107/S2053273318007593
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