Electronic state of oxygen minerals; an XAS study on the influence of cationic environment
Electronic state of oxygen minerals; an XAS study on the influence of cationic environment (in 4th European conference on Mineralogy and spectroscopy, Georges Calas (president))
European Journal of Mineralogy (December 2002) 14 (6): 1061-1067
Results are reported of an X-ray absorption spectroscopy study of the O K-edge in oxide minerals, focused on triangular (C (sub 2v) site symmetry) and tetrahedral (T (sub d) , C (sub 2v) and C (sub 1) ) environments involving various coordinating cations with rutile-type (rutile, pyrolusite and cassiterite), fluorite-type (thorianite), spinel-type (spinel (sub ss) ) and garnet-type (andradite). Full multiple scattering calculations are compared to actual spectra with the aim of interpreting pre-edge peaks and post-edge features. Comments are presented on the role of combinations between O 2p and metal valence bands.