What Determines the Void Space in Cubic Crystalline Structures?

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Homework Help Overview

The discussion revolves around determining the maximum radius of interstitial spheres that can fit into the void spaces of various cubic crystalline structures, specifically simple cubic, body-centered cubic, and face-centered cubic. Participants are exploring how the positions of these void spaces are geometrically defined within the structures.

Discussion Character

  • Exploratory, Conceptual clarification, Assumption checking

Approaches and Questions Raised

  • Participants discuss the hard sphere model and its relation to lattice constants and atomic radii. Questions arise regarding the geometric determination of void positions, with some suggesting visual aids and geometric reasoning to identify interstitial sites.

Discussion Status

There is an ongoing exploration of different cubic structures and their voids, with some participants providing geometric insights and others questioning the methods of determining void positions. Guidance has been offered regarding visualizing the structures and considering specific void types, such as octahedral and tetrahedral voids.

Contextual Notes

Participants are navigating the complexity of crystal geometries and the relationships between atomic radii and lattice constants. There is an acknowledgment of varying levels of familiarity with these concepts, which may influence the discussion.

Reshma
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The problem here is to find the maximum radius of the interstitial sphere that could just fit into the void space of cubic crystalline structures of:
the simple cube
body centered cubic
face centered cubic

My question is how is position of the void space determined in these structures?
 
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Use the hard sphere model ie. there are spheres of radius r at the lattice points and their radius and the lattice constant are connected via a relation for each of the unit cells.
 
inha said:
Use the hard sphere model ie. there are spheres of radius r at the lattice points and their radius and the lattice constant are connected via a relation for each of the unit cells.
Thank you for replying.
I'm aware of relationship between the lattice constant and the atomic radius.
Let 'a' be the lattice constant and 'r' be the atomic radius 'r'.
For simple cubic structure: [tex]r = \frac{a}{2}[/tex]

For body centered:[tex]r = a\frac{\sqrt{3}}{4}[/tex]

For face centered: [tex]r = a\frac{\sqrt{2}}{4}[/tex]

But how is the position of the void determined exactly(using geometry)?
 
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Pick a lattice plane and draw the spheres for visual aid. It shouldn't be difficult to see where you can fit an interstitial atom. Then draw another sphere of unknown radius r' and solve for it in the same manner the a-r relations are normally solved.
 
In simple cubic's case, it is quite simple.

For BCC: Consider the body diagonal. It's length is aXsqrt3 (Pythagorus Theorem!).

For FCC: Consider the face diagonal. It's length is aXsqrt2 (Pythagorus again!).
 
And now: what about diamond bonding angle?
 
Uh, what about it?
 
Reshma said:
My question is how is position of the void space determined in these structures?
By intuition ?

I can't think of any simple scheme that will tell you where the largest interstitials are...but if you spend a little time (or a lot, depending on how familiar you are with crystal geometries) picturing the structure, you can easily guess where these positions are. For the SC, it's pretty obvious where the biggest void is. This gets a little harder for the BCC and the FCC, but in both cases, a little clever thinking will get you home.

If not, have you come across octahedral and tetrahedral voids ? You might want to give these a look...
 

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