Could Al/O Stoichiometries Beyond Al2O3 Exist?

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SUMMARY

The discussion centers on the existence of aluminum-oxygen stoichiometries beyond the well-known Al2O3. A new structure with an Al/O ratio of 1/1 has been simulated, raising questions about the theoretical limitations of aluminum stoichiometries. The participant seeks evidence to support the notion that Al2O3 is the only valid stoichiometry, contrasting it with iron's multiple oxidation states and compounds. The simulation involves extra aluminum atoms compensating for oxygen, suggesting a novel approach to variable stoichiometry in aluminum compounds.

PREREQUISITES
  • Understanding of aluminum oxidation states and ionization.
  • Familiarity with aluminum oxide structures, particularly Al2O3.
  • Knowledge of computational simulation methods in materials science.
  • Basic principles of stoichiometry in chemical compounds.
NEXT STEPS
  • Research the theoretical frameworks for variable stoichiometry in aluminum compounds.
  • Explore computational simulation techniques for materials science, focusing on density functional theory (DFT).
  • Investigate the properties and applications of different aluminum oxides, including AlO and Al2O3.
  • Study the oxidation states of transition metals, particularly iron, to draw parallels with aluminum.
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Materials scientists, chemists, and researchers exploring aluminum compounds and their properties, particularly those interested in computational simulations and stoichiometric variations.

only1892
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Hi,
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?
 
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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?
 
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.

kanato said:
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?
 

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