Table 2. Spin-Hamiltonian and quadrupole doublet parameters used in the 4.2 K Mössbauer simulations.
| Type of center | Spin | δ (mm/s) | ΔEQ (mm/s) | η | A (T) | Γ (mm/s) |
| Diferric | ||||||
| A | 0 | 0.46 | 0.99 | 0.35 | ||
| B | 0.50 | 1.71 | 0.34 | |||
| Mixed-valence | ||||||
| FeIII | 1/2 | 0.52 | −1.45 | 0.26 | −44, −44, −44 | 0.35 |
| FeII | 1.15 | +2.96 | 0.09 | 32, 28, 14 | 0.35 | |
| Diferrous | 1.14 | 3.50 | 0.40 |
Parameters: δ –isomeric shift, η – asymmetry parameter, ΔEQ –quadrupole splitting; Γ – line width; A- hyperfine constant.
The diferric and mixed-valence parameters were determined from as-isolated RIC, while the diferrous parameters were determined from reduced RIC (data not shown).