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Floating S02 and E0 for each measured temperature gave only a slight variation in the values significantly smaller than the experimental uncertainty, and showed no trend with temperature. Hence, the parameters were fixed to average values, similar to the analysis of Sanson in Ref., yielding S02 =1.00 and E0 =9.2 eV consistent with our previous measurements.
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Relating the relative increase Δ REXAFS / REXAFS of the first and second shells to each other or to the relative lattice expansion, (RC - R0) / R0, is far from trivial since REXAFS depends on the crystallographic distance RC and on the relative vibrations perpendicular to the line connecting absorber-backscatterer pair (REXAFS = RC + MSRD /2 R0). The relative lattice expansion, (RC - R0) / R0, is the same for all coordination shells. In contrast, the MSRD may be different for first and second NN shells due to a different correlation in the absorber-backscatter motion, as is indeed observed for MSRD = σ EXAFS 2 [see Fig. 5]. In fact, we have exploited this very difference between REXAFS and RC to obtain information about the MSRD for the first NN shell (see Figs. 6 7). Given the strong correlation between R EXAFS (2) and C3 (2), the large uncertainties of the values, and the dependence of the results on the fitting protocol, no such analysis or physical interpretation is attempted for the second shell.
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