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. 2022 Jul 15;29(Pt 5):1187–1197. doi: 10.1107/S1600577522006439

Table 2. Fitted pre-edge peak fitting of the different samples along with reference model compounds bearing Mn with different oxidation states, spectral white line position, absorption energies set as a fraction (half) of the edge step, oxidation states of the Zn and Mn cations in the reference compounds, and samples at both Zn and Mn K-edges.

Group (x) Fitted pre-edge centroid E (eV) White-line position (eV) ±0.02 E 0 (eV), selected at the half-height of the edge step ±0.03 Oxidation state
Zn_ K-edge (9659 eV) – tabulated value
x = 0.03, before irradiation 9669.52 9661.62 Zn2+
x = 0.05, before irradiation 9669.49 9661.62 Zn2+
x = 0.07, before irradiation 9669.52 9661.69 Zn2+
x = 0.03, after irradiation 9669.48 9661.61 Zn2+
x = 0.05, after irradiation 9669.53   Zn2+
x = 0.07, after irradiation 9669.53   Zn2+
ZnO pure standard 9669.68 9661.58 Zn2+
 
Mn K-edge (6539 eV) – tabulated value
x = 0.03, before irradiation 6534.80 ± 1.76 6554.03 6543.52 Mn2+
x = 0.05, before irradiation 6534.80 ± 1.76 6553.75 6543.51 Mn2+
x = 0.07, before irradiation 6534.80 ± 2.66 6553.90 6543.50 Mn2+
x = 0.03, after irradiation 6534.80 ± 2.64 6553.85 6543.33 Mn2+
x = 0.05, after irradiation 6534.80 ± 1.93 6553.69 6543.50 Mn2+
x = 0.07, after irradiation 6534.80 ± 1.97 6553.76 6543.45 Mn2+
Mn-foil 6555.17 6543.47 Mn0
MnO 6539.56 ± 0.79 6553.95 6543.37 Mn2+
Mn2O3 6541.59 ± 1.01 6558.13 6548.66 Mn3+
Mn3O4 6539.79 ± 0.60 6558.17 6546.80 Mn2+ and Mn3+
MnO2 6542.06 ± 0.01 6559.49 6551.62 Mn4+

The inflection point of the pre-edge peak is 6538 eV.