Table 2 Fitting parameters for In K-edge EXAFS data presented in Fig. 4.

From: Underpinning the use of indium as a neutron absorbing additive in zirconolite by X-ray absorption spectroscopy

Sample

Parameters

Path

O1

O2

Ti1

Ti2

x = 0.10

N

6

2

2

 E0 = 0.7(10)

σ2 (10−3) (Å2)

16 (1)

8 (2)

7 (2)

 R-factor = 0.0079

R (Å)

2.16 (1)

3.33 (1)

3.58 (2)

 BVS = 2.97

α (%)

100.0

100.0

100.0

x = 0.20

N

3

3

2

2

 E0 = 0.3(14)

σ2 (10−3) (Å2)

10 (5)*

10 (5)*

8 (2)

7 (3)

 R-factor = 0.0117

R (Å)

2.10 (3)

2.23(3)

3.34 (2)

3.59 (2)

 BVS = 3.01

α (%)

100.0

100.0

100.0

100.0

  1. The amplitude reduction factor (S02 = 0.96) for all samples was determined by fitting of the In2O3 reference compound; N is the degeneracy; σ2 is the Debye–Waller factor; R is the interatomic distance; α is the result of the F-test indicating the confidence that adding the path improves the fit (> 67% is equal to 1σ and > 95% is equal to 2σ in terms of standard deviation); BVS is the bond valence sum; *indicates that the parameters were constrained to be equal.