Abstract

SILICON in tetrahedral and iron in octahedral coordination are fundamental units in a wide range of silicate minerals. Thus investigations of the nature of the Si–O and Fe–O bond in simple oxides such as SiO2 and Fe2O3 may provide some basis for the better understanding of these bonds in more complex silicate structures. Recently, attempts have been made to interpret certain aspects of the LII,III X-ray emission spectra of some transition metal compounds1–3 and the Kβ spectra of third row metal compounds3–5, using molecular orbital (MO) theory. Initial results have been most encouraging and MO theory seems to have great potential in the interpretation of spectra arising from transitions from valence orbitals. We present here the initial results of investigations of oxygen Kα emission spectra from SiO2 (quartz) and Fe2O3 (haematite), which are readily interpretable within the framework of simple MO theory.

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