Non-Stoichiometry & Partial Occupancies Explained

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SUMMARY

The discussion centers on the relationship between non-stoichiometry and partial occupancies in materials. It is established that when an X-ray analysis reveals that a site can be occupied by two different atom types with equal probability, this indicates non-stoichiometric behavior. The presence of such partial occupancies suggests that the material can exhibit various stoichiometric ratios, confirming the link between these concepts. Additionally, the mention of lattice defects highlights the complexity of interpreting site occupancy in terms of stoichiometry.

PREREQUISITES
  • Understanding of non-stoichiometry in materials science
  • Familiarity with X-ray analysis techniques
  • Knowledge of lattice defects and their implications
  • Basic concepts of atomic occupancy and probability in crystallography
NEXT STEPS
  • Research non-stoichiometric compounds and their properties
  • Study X-ray diffraction techniques for material characterization
  • Explore the role of lattice defects in material properties
  • Investigate the implications of partial occupancy in crystal structures
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This discussion is beneficial for materials scientists, crystallographers, and researchers interested in the properties of non-stoichiometric materials and their structural analysis.

tirrel
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Hello, I'd like to understand better the relation between non-stoichiometry and partial occupancies. Let's suppose for example that after an Xray analysys I find that in a material a site can be occupied by an atom of type 1 or an atom of type 2 with 50 % probability. Does it usually mean that the material is non stoichiometric and that it is possible to produce a material with different stechiometric ratios or there is no relation?
 
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tirrel said:
after an Xray analysys I find that in a material a site can be occupied by an atom of type 1 or an atom of type 2 with 50 % probability
Can you rephrase this? It's not making any sense to me in terms of stoichiometry. Are you talking about lattice defects when you say "sites?"
 

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