Table 2 Best fit parameters obtained by fitting the experimental EXAFS of the ACuFe sample at the Cu K-edge with a 9 shell model of tetragonal copper ferrite. Coordination numbers (N), interatomic distances (R), Debye-Waller factors, S02, ΔE0 and R-factor are shown.

From: Evidence of a cubic iron sub-lattice in t-CuFe2O4 demonstrated by X-ray Absorption Fine Structure

ACuFe

Cu K-edge

Abs.-Backscatter

N

σ2(Å2)

R(Å)

Occupancy

Cu-O

4.0

0.007 ± 0.001

1.97 ± 0.01

1.0

Cu-O

2.0

0.009 ± 0.003

2.22 ± 0.02

1.0

Cu-CuB*

2.0

0.005 ± 0.001

2.90 ± 0.01

0.5

Cu-FeB*

2.0

0.005 ± 0.001

2.90 ± 0.01

0.5

Cu-CuB**

4.0

0.010 ± 0.003

3.00 ± 0.02

0.5

Cu-FeB**

4.0

0.010 ± 0.003

3.00 ± 0.02

0.5

Cu-FeA

4.0

0.010 ± 0.002

3.44 ± 0.03

1.0

Cu-FeA

2.0

0.012 ± 0.006

3.65 ± 0.06

1.0

Cu-O

2.0

0.040

3.557

1.0

Cu-O

4.0

0.040

3.633

1.0

Cu-O

2.0

0.040

3.705

1.0

S 0 2 = 0.9

ΔE 0  = 0.00 ± 1.4 eV

R-factor = 0.021

  1. *The distances involving the Cu2+ absorber with the ions located in the tetrahedral sites are split into two contributions with the same interatomic distances and Debye-Waller factors, as described in the text. **The distances involving the Cu2+ absorber with the ions located in the octahedral sites are split into two contributions with the same interatomic distances and Debye-Waller factors, as described in the text.
Back to article page