Aluminum K-XANES spectra in minerals as a source of information on their local atomic structure

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Abstract
For Al containing compounds with different symmetry types of Al environment (from fourfold to 12-fold coordinated Al) it is revealed that Al K-XANES spectra are well reproduced by the XAFS code, based on the method of Hartree-Fock MT-potential generation, considering the photoelectron single-, double- and triple-scattering processes on approximately linear two- and three-atom chains, originated at the absorbing Al atom. The empirical `selection rules' for choosing these chains are obtained and the origins of features in spectra are interpreted using the SELCOMP code. The proposed EXAFS-like approach for Al K-XANES description is applied also to explain the differences in Al K-XANES spectra, caused by the replacement of Fe atoms by Al atoms in goethite (-FeOOH).