Do FCC Structures only have a CN of 12?

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Discussion Overview

The discussion revolves around the coordination number (CN) of face-centered cubic (FCC) structures, specifically questioning whether it is strictly limited to 12. Participants explore the implications of lattice vacancies and atomic distortions on the symmetry and structural integrity of FCC crystals.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • One participant inquires if FCC structures can have a coordination number other than 12, particularly in the presence of lattice vacancies or distortions.
  • Another participant notes that real crystals contain defects, which are typically negligible compared to the total number of atoms.
  • A follow-up question asks about the threshold of vacancies required for an FCC structure to lose its symmetry and cease to show FCC-type diffraction peaks.
  • It is suggested that the number of vacancies that can be tolerated before losing symmetry depends on various factors, including the crystal's temperature and purity.
  • Reference is made to a source indicating that up to one vacancy per 1000 atoms can exist in equilibrium at the melting point of metals, which is considered a high number of vacancies.
  • Participants express uncertainty about the stability of a crystal with significant vacancies and whether it can still be classified as a crystal.
  • Additional resources are shared, providing background on metallic structures and lattice defects, including defect densities ranging from one defect per 10,000 to 100,000 atoms or less.

Areas of Agreement / Disagreement

Participants do not reach a consensus on whether FCC structures can have a coordination number other than 12, and the discussion remains unresolved regarding the impact of vacancies on structural symmetry.

Contextual Notes

Participants acknowledge that the discussion is influenced by various factors, including temperature and purity of the crystal, which may affect the presence and impact of defects.

letshin
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Hi all,

Without first delving too deeply into the literature I wanted to ask if its is only permissible for FCC structures to have a coordination number of 12. In the case of lattice vacancies and/or distortion: wherein the atomic sites are slightly displaced; is there a kind of tolerence for this to happen without breaking the FCC symmetry?

Are there any publications on this topic?

Many thanks,
Let
 
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No real crystal is exactly perfect everywhere - you always have some defects. The number of defects is very small compared to the total number of atoms, so usually they can be neglected if you consider the crystal structure.
 
Cheers. When you say small, what is the order of difference?

In the case of a, say, disordered FCC structure how many vacancies would be needed before the structure loses symmetry and say, no longer shows FCC-type diffraction peaks?
 
letshin said:
Cheers. When you say small, what is the order of difference?
That really depends on the crystal, its temperature, purity and so on.

letshin said:
In the case of a, say, disordered FCC structure how many vacancies would be needed before the structure loses symmetry and say, no longer shows FCC-type diffraction peaks?
I'm not sure if such a broken crystal would still be stable enough to use it as a crystal at all.
Reference 2 of the wikipedia article suggests up to one vacancy per 1000 atoms in equilibrium at the melting point of metals. And that is a very high number of vacancies.
 
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mfb said:
That really depends on the crystal, its temperature, purity and so on.

I'm not sure if such a broken crystal would still be stable enough to use it as a crystal at all.
Reference 2 of the wikipedia article suggests up to one vacancy per 1000 atoms in equilibrium at the melting point of metals. And that is a very high number of vacancies.

Thanks for that. That helped quite a bit - of course I should have checked wiki first at the very least. Silly me.
 

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