Table 1 Fitting parameters and results for 2400 ppm Cr-doped UO2 calcined oxide powder and sintered pellet samples.

From: Cr2+ solid solution in UO2 evidenced by advanced spectroscopy

 

UO2 + 2400 ppm Cr (Calcined oxide powder)

UO2 + 2400 ppm Cr (Sintered pellet)

S02

0.90

0.90

Eo

−0.80(2)

−6.0(15)

N (Cr-O1)

4

4.5

Reff (Cr-O1)

2.10*

2.10*^

R(Cr-O1)

2.00(1)

2.00(1)

σ2 (O1)

0.0010(6)

0.005(1)

α (%)

100.0

100.0

N (Cr-O2)

3

1.5

Reff (Cr-O2)

2.94*

2.17′

R(Cr-O2)

2.95(2)

2.44(2)

σ2 (O2)

0.004(3)

0.002(2)

α (%)

99.6

100.0

N (Cr-U1)

4

3

Reff (Cr-U1)

3.49*

3.49*^

R(Cr-U1)

3.58(4)

3.40(7)

σ2 (U1)

0.017(6)

0.014(8)

α (%)

85.7

100.0

N (Cr-U2)

2

1

Reff (Cr-U2)

3.81*

3.40*

R(Cr-U2)

3.85(6)

3.34(5)

σ2 (U2)

0.010(7)

0.004(3)

α (%)

79.1

100.0

N (Cr-U3)

2

Reff (Cr-U3)

3.81*^

R(Cr-U3)

3.91(2)

σ2 (U3)

0.001(1)

α (%)

100.0

R-factor

0.019

0.013

Bond valence sum (O1)

1.94

2.14

Bond valence sum (O2)

0.11

0.22

Bond valence sum (total)

2.05

2.35

  1. S02 is the amplitude reduction factor, ∆E0 the shift from Cr K-edge position (5989 eV), 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.
  2. Structures used to inform path fitting *1Cr+1Ov, ’2Cr+2Ov, ^Cr2O3.