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. 2018 May 30;25(Pt 4):920–934. doi: 10.1107/S1600577518006549

Table 2. Same as Table 1 with non-interpolated data but using experimental uncertainties in determining the fit.

  i-pr Ni n-pr Ni
Inline graphic 1.094 ± 0.025 0.788 ± 0.028
α 1.0008 ± 0.0032 1.0261 ±0.0062
Inline graphic, Inline graphic2) 0.0010 0.0010
Inline graphic2)§ 0.0020 0.0020
Inline graphic2) 0.0048 ± 0.0023 0.0064 ± 0.0044
Inline graphic (eV) 0.85 ± 0.72 6.70 ± 1.11
     
Inline graphic 5.905 9.576
Inline graphic +0.004 −0.117

Inline graphic and Inline graphic are for the two-legged Ni—N—Ni and Ni—O—Ni paths, set to 0.001 Å2.

Fixed to physical value.

§

Inline graphic is the thermal broadening parameter for the next shortest 15 photoelectron scattering FEFF paths, set to be 0.002 Å2.