Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data

Poppe, R.; Roth, N.; Neder, R.B.; Palatinus, L.; Iversen, B.B.; Hadermann, J.

doi:10.1107/S2052252523010254

Figure 4
Monte Carlo refinement in DISCUS applied to the diffuse scattering in the h0l plane from the single-crystal X-ray diffraction data and the 3DED data acquired on the thermally quenched sample (Q-0.84 #2). Comparison of (a) the experimental diffuse scattering, (b) the diffuse scattering calculated for the refined short-range order parameters in Table 2