. Author manuscript; available in PMC: 2012 Jun 9.

Published in final edited form as: Inorg Chem. 2004 May 3;43(9):2954–2959. doi: 10.1021/ic0351592

Table 2.

EXAFS Best-Fit Parameters with Data Fit over the k Range of 1–15.0, Using a Scale Factor of 0.99 and an E₀ of −10.0^a

sample	no. of shells	A	R (Å)^b	CN^c	σ²^d	A	R (Å)^b	CN^c	σ²^d	A	R (Å)^b	CN^c	σ²^d	F^e
As(pH12)	1	O	1.77	3.0	6.71									1.47
	2	O	1.69	1.0	0.60	O	1.82	2.5	1.95					1.04
	3	O	1.69	1.0	0.70	O	1.82	2.5	1.84	O	2.70	0.5	1.35	0.97
As(pH7)	1	O	1.77	3.5	3.22									0.88
As(pH7)	2	O	1.77	3.5	3.23	O	2.65	0.5	4.30					0.83
AsSb(1:1)	1	O	1.78	3.5	3.07									1.99
AsSb(1:1)	2	O	1.78	3.5	3.04	O	2.65	1.0	4.89					1.90
AsSb(1:2)	1	O	1.78	3.5	2.83									1.94
AsSb(1:2)	2	O	1.78	3.5	2.83	O	2.68	1.0	2.92					1.89
AsSb(1:4)	1	O	1.77	3.5	2.88									1.56
AsSb(1:4)	2	O	1.77	3.5	2.88	O	2.69	1.0	4.36					1.55

Overall best fit for each sample from progressive addition of scattering environments is in bold. A denotes the coordinating atom.

As–ligand bond length in Å. Multiple data sets have a standard deviation of 0.01 Å.

As–ligand coordination number. Multiple data sets have a standard deviation of 0.5.

Debye–Waller factor in ×10³ Å². Multiple data sets have a standard deviation of 1.23 Å².

Number of degrees of freedom weighted goodness-of-fit parameter. Multiple data sets have a standard deviation of 0.23.