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Figure 3
Measured and calculated 3D-ΔPDF. (a) and (b) Measured 3D-ΔPDF for the `SC-0.81' and `Q-0.84 #2' samples in the 010 plane (same samples as in Fig. 2[link]). (c) and (d) Integrated peak amplitudes of the 3D-ΔPDF. (e) and (f) Calculated 3D-ΔPDF using the vacancy repulsion model including Sb and Co relaxation. Both plots have a vacancy concentration of x = 1/6 but (e) represents a BD-type ground state and (f) a simulated quench with J2/J1 = 0.5. Details of the ground-state structure are given in the supporting information. (g) and (h) Calculated 3D-ΔPDF using the vacancy repulsion model without Sb and Co displacements.

IUCrJ
Volume 8| Part 4| July 2021| Pages 695-702
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521005479