Improving sensitivity of XANES structural fit to the bridged metal–metal coordination

Abrosimov, S.V.; Protsenko, B.O.; Mannaa, A.S.; Vlasenko, V.G.; Guda, S.A.; Pankin, I.A.; Burlov, A.S.; Koshchienko, Y.V.; Guda, A.A.; Soldatov, A.V.

doi:10.1107/S1600577524002091

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Figure 4
Variation of the R-factor in the proximity of the best fit. Panels (a) and (c) show the R-factor calculated for the XANES region (first 70 eV of the spectrum). Panels (b) and (d) show the R-factor calculated for the extended XANES region [first 170 eV and converted into k²χ(k)]. The fit is shown in the space of two parameters: Cu–O and Cu–Cu bonds [panels (a) and (b)] or two distances in the first coordination shell [panels (c) and (d)].

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 31| Part 3| May 2024| Pages 447-455

https://doi.org/10.1107/S1600577524002091

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