Abstract
A simple molecular-orbital model for the bonding in magnesium oxide is developed using Mg4O4(a cube with magnesium and oxygen atoms at alternate corners) as a basis. Extension to Mg32O32 indicates how the molecular-orbital description of Mg4O4 can be developed into the band structure for MgO. The qualitative predictions concerning the distribution of Mg 3p, Mg 3s, O 2p, and O 2s character amongst the various orbitals are checked by comparison with X-ray emission (Mg-Kβ1,3, Mg-L2,3 M, and O-Kα) and also X-ray photoelectron spectra. The Mg4O4 model provides an adequate rationalisation of the principal features of the spectra, particularly of the split magnesium X-ray emission peaks.
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