Non-MT Determination of X-Ray Absorption Cross-Section's Factorized Atomic Part in the Near-Edge Region

An algorithm and code for the determination of the factorized atomic part of the absorption cross‐section from experimental spectra in the XANES region were generated and tested on Al and Si K‐edge XANES in reference compounds and applied to zeolite Beta with various Si/Al ratios. However, replacement of the theoretically determined background with the experimental absorption cross‐section significantly improved the agreement with experiment. The spectral analysis showed that the XANES region can be used to extract detailed structural information when the Muffin‐tin approximation can be avoided. Asymmetry in the silicon oxide tetrahedron was observed when increasing the aluminum content of the zeolite.