Table 1.

Main interatomic bond-distances, atomic coordination and 2σ ² factors of aWO₃ calculated from nonlinear least-squares fitting of the experimental $k^3\chi (k)$ and FT$\left|k^3\chi (k)\right|$ spectra to single- and multiple-scattering theory [$S_0^2\approx 0.92\left(4\right)$, ΔE ₀ ≈ 6.84 eV], together with parameters obtained directly from RMC-EXAFS optimized structures of aWO₃.

Least-Squares Fitting		RMC-EXAFS aWO3
W-O	1.86 ± 0.02 Å	W-O	1.85 ± 0.03 Å
N W-O	5.80 ± 0.10	N W-O	5.74 ± 0.12
${2\sigma }_{\mathrm{W}‐\mathrm{O}}^2$	0.011(8)	N O-W	1.91 ± 0.03
W-W	3.74 ± 0.02 Å	W-W	3.73 ± 0.03 Å
N W-W	5.30 ± 0.10	N W-W	5.24 ± 0.18 Å
${2\sigma }_{\mathrm{W}‐\mathrm{W}}^2$	0.136(3)	O-O	2.76 ± 0.03 Å
—	—	N O-O	7.68 ± 0.21