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Figure 4
(a) Uranium M4-edge HERFD-XANES and the corresponding FDMNES calculated spectrum (non convoluted). The absorbance scale was limited in this plot to better distinguish the numerous satellite features (denoted as A, B, C, D, E and F). We refer to Figure 7 in the supporting information for the full scale absorption spectrum. (b, c) Calculated U-f and O-p partial DOS, here expressed as cubic harmonics, to allow direct comparison with the experimental XANES spectrum. The Fermi energy level is indicated with a vertical dotted line. Vertical dashed-dotted lines indicating the position of features A, B, C, D, E and F in partial DOS are also present to guide the eyes. We refer to Figure 6 of the supporting information for the other calculated partial DOS.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 29| Part 1| January 2022| Pages 21-29
https://doi.org/10.1107/S1600577521012431
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