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Figure 6
Calculated and experimental F K-edge spectra of cuspidine, Ca4Si2O7F2: (a) calculated spectrum of the 1F site with calculation radii of 13 Å and 10 Å for FMS and SCF, respectively; (b) calculated spectrum of the 2F site with calculation radii of 13 Å and 10 Å; (c) average of (a) and (b), the final calculated spectrum; (d) normalized experimental spectrum (PFY). Each spectrum is presented on a unique y-axis, with μ(E) = 1 marked with a larger tick.

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 33| Part 3| May 2026| Pages 715-724
https://doi.org/10.1107/S1600577526002821
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