Demonstrates the impact of higher-coordination shells on garnet minerals using X-ray-absorption spectroscopy, suggesting new insights into atomic interactions.
The aluminium 1s x-ray-absorptionspectra of a series of garnets, pyrope (Mg3Al2Si3O12), almandine (Fe3Al2Si3O12), spessartine (Mn3Al2Si3O12) and grossular (Ca3Al2Si3O12), are compared to full multiple-scattering calculations using cluster models. An overall good agreement between experiment and calculation, extended also to the edge region, is obtained in the energy range up to 60 eV above the threshold, provided clusters containing at least 40 atoms are used. The analysis of these garnet XAS spectra provides clear evidence on the effect of atoms located far away from the first-coordination shell around the photoabsorber. As a local probe, XANES spectroscopy at the edge of low Z elements appears to be a perfect tool to investigate the role played by atoms located in higher-coordination shells.
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G. et al. (1996) studied this question.
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