Fig. 2.

(A) k³-weighted EXAFS spectrum of Fe(II)-BEA (Inset, black) with fit in red. The Fourier transforms of the 2 ≤ k ≤ 14 Å⁻¹ region of EXAFS (black) and fit (red) is shown in the main figure. (B) Key EXAFS scattering interactions for a square planar Fe(II) site bound to a β-6MR (Left), with a comparison of the EXAFS geometry of α-Fe(II) to DFT models with different distributions of Al (2T4, 2T6, and 2T8). The experimental data require a fit with all three shells. See Table S2 for parameters of the full fit, including all scattering paths, Debye–Waller factors, and E₀. The reported EXAFS distances have an error of ±0.03 Å (27).