Table 4 Main parameters for EXAFS analysis.

From: Chemical variability of artificial stone powders in relation to their health effects

 

R factor

e0

S02

Fe0 (molar fraction)

path

N

R (Å)

σ2—2)

D. T. (K)

1A

0.02

−10(1)

0.6(1)

0

Fe-O

6

1.98(1)

0.007(2)

 
     

Fe-Fe

8

2.96(2)

0.016(2)

 
     

Fe-Fe

4

3.01(2)

//

 
     

Fe-Fe

4

3.43(2)

//

 

1B

0.02

7(1)

0.8(1)

0.3(1)

Fe-O

6

2.03(1)

0.010(4)

 
     

Fe-Fe

4

2.99(1)

0.005(3)

 
     

Fe0

   

354(86)/302(58)

1C

0.009

3(1)

1.1(1)

0

Fe-O

6

1.99(1)

0.015(3)

 
     

Fe-Fe

4

3.00(1)

0.012(2)

 
     

Fe-Fe

4

3.41(1)

//

 

2A

0.02

−7(2)

0.6(1)

0

Fe-O

6

2.05(2)

0.007(4)

 
     

Fe-Fe

4

3.02(2)

0.013(4)

 

2B

0.04

9(2)

0.9(1)

0.6(1)

Fe-O

6

2.04(1)

0.013(9)

 
     

Fe0

   

350(37)/312(27)

2C

0.002

−8(1)

0.7(1)

0

Fe-O

 

1.97(1)

0.004(1)

 
     

Fe-Fe

 

2.99(1)

0.010(1)

 
     

Fe-Fe

 

3.51(1)

//

 

3A

0.01

−7(2)

0.6(1)

0

Fe-O

6

2.06(1)

0.006(3)

 

3B

0.03

7(1)

0.6(1)

0.5(1)

Fe-O

6

2.07(1)

0.009(5)

 
     

Fe0

   

422(44)/368(28)

3C

         

4A

0.03

7(1)

0.7(1)

0.5(2)

Fe-O

6

2.08(1)

0.012(7)

 
     

Fe0

   

389(49)/330(28)

4B

0.03

8(2)

1.0(3)

0.4(1)

Fe-O

6

1.99(1)

0.03(1)

 
     

Fe0

   

416(59)/361(38)

4C

0.02

−8(4)

0.8(2)

0

Fe-O

4

1.81(2)

0.003(3)

 

5A

0.001

−6(1)

0.62(3)

0

Fe-O

6

2.03(1)

0.011(1)

 
     

Fe-Fe

2

2.99(1)

0.004(1)

 

5B

0.02

4(1)

0.8(1)

0

Fe-O

6

1.99(1)

0.007(3)

 
     

Fe-Fe

2

2.93(1)

//

 
     

Fe-Fe

2

2.99(1)

0.003(2)

 
     

Fe-Fe

1

3.17(1)

//

 
     

Fe-Fe

1

3.43(1)

//

 

5C

0.01

−10(1)

1.0(1)

0

Fe-O

6

2.01(1)

0.005(2)

 
     

Fe-Fe

 

2.92(1)

0.010(1)

 
     

Fe-Fe

 

2.99(1)

//

 
     

Fe-Fe

 

3.38(1)

//

 
     

Fe-Fe

 

4.58(2)

//

 

6A

0.03

2(2)

1.0(2)

0.3(1)

Fe-O

6

2.07(1)

0.011(4)

 
     

Fe0

   

324(74)/253(41)

6B

0.04

0(2)

0.9(2)

0.11(4)

Fe-O

6

2.03(1)

0.012(4)

 
     

Fe-Fe

 

3.00(2)

0.018(6)

 
     

Fe0

   

324*/253*

6C

0.02

−2(2)

1.1(2)

0

Fe-O

6

2.03(2)

0.008(3)

 
     

Fe-Fe

1

3.00(5)

0.002(2)

 
     

Fe-Fe

1

3.35(5)

//

 

7A

0.02

2(1)

0.6(1)

0.6(1)

Fe-O

6

2.06(2)

0.003(6)

 
     

Fe0

   

373(50)/346(35)

7B

0.04

3(2)

1.1(3)

0.5(2)

Fe-O

6

2.11(2)

0.02(1)

 
     

Fe0

   

285(64)/224(38)

7C

0.05

−3(2)

0.6(1)

0

Fe-O

4

1.93(1)

0.001

 
  1. Notes: S02 = Amplitude reduction factor, R = refined path distance, N = path degeneracy, σ2 = Debye-Waller factor. * = Fixed parameters. Metallic Fe (Fe0) has been fitted according to the BCC structure using the correlated Debye model in order to compute Debye-Waller factors for each path45 and employing two different variables (D.T. = Debye Temperature): one for the I shell and one for the higher coordination shells. The average of multiple Fe-O distances is reported for the I shell.