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Table 3 EXAFS fitting parameters for all Fe K-edge EXAFS spectra

From: Effects of metal cation substitution on hexavalent chromium reduction by green rust

Sample

k-range

R-value

S20

Shell:

ΔE0 (eV)

Fe-0

CN

R (Ã…)

σ2 (Å−2)

Fe–Fe (edge-sharing)

CN

R (Ã…)

σ2 (Å−2)

Fe–Fe (corner-sharing)

CN

R (Ã…)

σ2 (Å−2)

Feroxyhyte

4–14

0.014

0.9*

− 4.19

6*

1.98

0.013

2.80 ± 13%

3.03

0.015*

2.39 ± 20%

3.41

0.015*

oxGR

4–11

0.004

0.9*

− 4.63

6*

1.98*

0.011

3.88 ± 10%

3.05

0.015*

2.49 ± 20%

3.41

0.015*

oxAl-GR

4–14

0.011

0.9*

− 4.56

6*

1.98*

0.012

3.19 ± 12%

3.04

0.015*

2.59 ± 20%

3.38

0.015*

oxMg-GR

4–13

0.008

0.9*

− 4.11

6*

1.98*

0.012

3.18 ± 10%

3.02

0.015*

2.23 ± 20%

3.41

0.015*

oxZn-GR

4–13

0.006

0.9*

− 4.2

6*

1.98*

0.012

3.73 ± 10%

3.05

0.015*

2.26 ± 20%

3.41

0.015*

  1. *Parameter was fixed during fitting