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How about AlO?

  1. Jul 27, 2009 #1
    I am doing some simulation and get a new structure and the stoichiometry is Al/O=1/1,not Al2O3. I searched almost all the journals, but still can not find any reference talking about a stoichiometry rather than Al/O=2/3. Is there any theoretical evidence saying that 2:3 is the only correct one? I mean, like Fe, there are FeO,Fe2O3 and Fe3O4,possiblly more. But why only Al2O3?
    If people have tried to find other stoichiometry, how was it?
  2. jcsd
  3. Jul 28, 2009 #2
    A +1 ionization state for Al is surprising to me, since Al has 3 sp electrons. What kind of simulation are you doing that allows variable soichiometry?
  4. Jul 28, 2009 #3
    Thanks for your reply.
    In my simulation, there are extra Al atoms that allows to compensate the O and occupying all the tetrahedral sites of the O hcp sub-lattice.

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