Table 2 Fitting parameters and results for 1200 ppm and 2400 ppm Mn-doped UO2 oxide powders.

From: Fabrication, defect chemistry and microstructure of Mn-doped UO2

 

UO2 + 1200 ppm Mn (Calcined oxide powder)

UO2 + 2400 ppm Mn (Calcined oxide powder)

S02

1.0

1.0

∆Eo

− 0.8 (1)

− 0.9 (6)

N (Mn-O1)

6

6

Reff (Mn-O1)

2.37

2.37

R(Mn-O1)

2.29 (1)

2.27 (1)

σ2 (O1)

0.016 (1)

0.018 (1)

α (%)

100.0

100.0

N (Mn-O2)

2

2

Reff (Mn-O2)

2.37

2.37

R(Mn-O2)

2.57 (3)

2.55 (3)

σ2 (O2)

0.012 (4)

0.015 (4)

α (%)

100.0

100.0

N (Mn-U1)

5

5

Reff (Mn-U1)

3.87

3.87

R(Mn-U1)

3.78 (1)

3.78 (1)

σ2 (U1)

0.011 (1)

0.013 (1)

α (%)

100.0

100.0

R-factor

0.0098

0.0071

Bond valence sum (O1)

1.56

1.62

Bond valence sum (O2)

0.24

0.26

Bond valence sum (total)

1.80

1.88

  1. (S02) is the amplitude reduction factor, (∆E0) the shift from Mn K-edge position (5.989 keV), (N) the degeneracy, (Reff) (Å) the reference bond length, (R) (Å) the fitted bond length, (σ2) the Debye–Waller factor and (α) F-test factor. EXAFS data and fits are shown in Fig. 4