Table 2.
Shell-by-shell EXAFS fit summary for plumbojarosite reference and TD2.6, shown in Figure 3.
| E0 (eV) | path | N | Distance (Å) | σ2 (Å2) | Red χ2 | |
|---|---|---|---|---|---|---|
| Pb-jarosite structure a | Pb-O Pb-O Pb-Fe |
6 6 6 |
2.69 2.95 3.55 |
|||
| Pb-jar | 4.1 (2.1) | Pb-O Pb-O Pb-Fe |
6b 6b 6b |
2.67 (3) 2.94 (3) 3.57 (2) |
0.014 (3) 0.009 (2) 0.0088 (8) |
429 |
| TD2.6 | 4.8 (2.2) | Pb-O Pb-O Pb-Fe |
6b 6b 6b |
2.67 (4) 2.95 (4) 3.60 (2) |
0.023 (4) 0.014 (3) 0.014(1) |
138 |
Fitted parameters included: E0, energy shift; path, single-scattering absorber-backscatterer (A–B) pair; N, path degeneracy; distance, A–B distance; σ2, Debye-Waller factor (mean-square bond displacement); reduced χ2, statistical goodness-of-fit. Error estimates of fitted parameters are shown in parenthesis.
a
Szymanski, 1985.
b
Fixed during fitting.