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Figure 1
(a) Rietveld analysis of the XRPD pattern supported by the Sakuma TDS model. The dots represent the experimental data obtained with an SDD of 300 mm, the red line is the powder pattern modelling, the green line is the empty capillary contribution, the dashed line is the Chebyshev background, the yellow line is the Sakuma TDS contribution, the purple corresponds to all the background features (TDS + Chebyshev + empty capillary) and the blue line represents the residual of the fitting. (b) Zoomed-in part of the grey rectangle of (a). (c) Components of the TDS modelled by the Sakuma approach. Red corresponds to the uncorrelated Debye TDS component of equation (3[link]). [\lambda_{r_{{\rm Ag - Ag} - i}}] represents each of the ith coordination shell components of the of the TDS for the Ag–Ag pairs. [\lambda_{r_{{\rm Ag - O} - j}}] represents the TDS jth coordination shell for the Ag–O pairs. The yellow lines represent the total TDS contribution, which was multiplied by 0.20 in the graph for visualization purposes.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 1| February 2025|
https://doi.org/10.1107/S1600576724010756
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