  Possible candidates for the Mg2B3Ox nanostructures observed in bulk of
polycrystalline MgB2 (Ref.1) have been studied using a combination of
Z-contrast imaging, electron energy loss spectroscopy (EELS) and
first-principles calculations. The electronic structures, phonon modes, and
electron phonon coupling parameters are calculated for two oxygen-ordered MgB2
compounds of composition Mg2B3O and Mg2B3O2, and compared with those of MgB2.
We find that the density of states for both Mg2B3Ox structures show very good
agreement with EELS, indicating that they are excellent candidates to explain
the observed coherent oxygen precipitates. Incorporation of oxygen reduces the
transition temperature and gives calculated TC values of 18.3 K and 1.6 K for
Mg2B3O and Mg2B3O2, respectively.
