Table 1.
Incubation time, min | Fe-S |
Fe-Fe (short) |
Fe- Fe (long) |
ΔE0, eV | Error | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
N | R, Å | σ2, Å2 | N | R, Å | σ2, Å2 | N | R, Å | σ2, Å2 | |||
0 | 3.50 | 2.30 | 0.0060 | 0.50 | 2.49 | 0.0040 | 2.50 | 2.70 | 0.0119 | −12.7 | 0.352 |
5 | 3.50 | 2.31 | 0.0054 | 1.00 | 2.52 | 0.0065 | 2.25 | 2.73 | 0.0099 | −12.0 | 0.303 |
20 | 3.50 | 2.31 | 0.0054 | 1.00 | 2.52 | 0.0063 | 2.25 | 2.72 | 0.0104 | −12.6 | 0.323 |
60 | 3.50 | 2.32 | 0.0048 | 1.50 | 2.55 | 0.0116 | 1.75 | 2.77 | 0.0100 | −10.8 | 0.332 |
120 | 3.50 | 2.32 | 0.0051 | 1.50 | 2.55 | 0.0094 | 1.75 | 2.76 | 0.0097 | −10.8 | 0.336 |
The data were fit over the k range 2 to 15.7 Å−1. The variables are coordination number, N; interatomic distance, R (Å); mean-square thermal and static deviation in R, σ2 (Å2); and the shift in the threshold energy, ΔE0 (eV). R, σ2, and ΔE0 were allowed to float during the fitting process in which N was systematically varied; a single ΔE0 was used for each fit. The estimated uncertainties in R and σ2 are ± 0.02 and ± 0.0001 Å2, respectively (30). There is a 10–20% uncertainty in N (31). Error is reported as F/no. of points, where F = [Σk6(χexptl − χcalcd)2/ Σk6χexptl2] (27).