view article
Figure 3
(a) 3D representation of one simulated particle's S(qx, qy, qz). Black dashed lines are plotted as a guide to the eye. The randomly oriented slice of the reciprocal space by the Ewald sphere is depicted as a gray surface, which is only shown for the actual positions of detector pixels on the surface. Positions where the detector slices S(qx, qy, qz) are shown in magenta. (b) Reciprocal lattice points of HCP (green), FCC (111) (red) and (200) (blue). The reciprocal lattice vectors of one FCC (111) (red arrow) and one HCP (100) (black arrow) are additionally depicted. In order to parameterize the lines and surface in the (q1, q2, ϕ) correlation space, the vector qz = q2 − qHCP(100) along a rod (green line) is introduced. (c) and (d) Simulated XCCA maps for the same q values as in Fig. 2[link] and α = 0.05 stacking fault probability. (e) and (f) Slices through the surfaces in correlation space Ψ, given by the correlation of different rods emerging from stacking faults. The parametrization is detailed in equations (S3) and (S4) of the supporting information.

IUCrJ
Volume 12| Part 4| July 2025| Pages 462-471
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525004063