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Figure 1
The diffuse scattering components of binary substitutional disorder with one disordered site per unit cell. The site can be occupied by either molecule A or molecule B, as shown in the top panel. Molecule A has a smaller central atom, the red atoms sit closer to the central atom and the scattering power is lower than that of molecule B. The difference between their molecular form factors causes structured scattering shown by IFF. The middle panel illustrates SRO, i.e. whether molecule A is more likely to be found next to molecule B or vice versa. It gives rise to a periodic grid of maxima, ISRO. The bottom panel shows the whole disordered crystal structure and the total diffuse scattering, ID.

IUCrJ
Volume 11| Part 1| January 2024| Pages 34-44
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523009521