What is a Primitive Cell in Material Science?

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Discussion Overview

The discussion centers around the concept of a primitive cell in material science, particularly in the context of crystal structures. Participants explore the definitions and distinctions between primitive unit cells and conventional unit cells, as well as their implications for crystal symmetry and lattice points.

Discussion Character

  • Conceptual clarification
  • Debate/contested
  • Technical explanation

Main Points Raised

  • Some participants express confusion regarding the definitions of primitive unit cells versus unit cells.
  • A primitive cell is described as the smallest cell that can construct a crystal through repetition, with an infinite number of choices available that maintain the same volume.
  • It is noted that conventional unit cells, such as those for FCC or BCC structures, are often larger than primitive cells and are preferred for their intuitive representation of crystal symmetry.
  • One participant mentions that a primitive unit cell contains only one lattice point, while a conventional unit cell can contain multiple points, which can lead to more favorable shapes for calculations.
  • Concerns are raised about the potential for primitive cells to result in irregular shapes, making them less practical in some contexts.
  • Another participant suggests that using a Wigner-Seitz cell can provide a primitive cell that retains the full symmetry of the lattice, and that conventional unit cells may simplify calculations.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the advantages or disadvantages of using primitive versus conventional unit cells, indicating that multiple competing views remain regarding their definitions and applications.

Contextual Notes

Some definitions and assumptions regarding lattice points and cell shapes remain unresolved, and the discussion reflects varying interpretations of the concepts involved.

raees29
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In Material Science, what is a primitive cell when speaking crystals.
 
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Welcome to PF,
Did you try googling: "primitive cell crystal"?
 
I did but I'm getting confused by the definition of a Primitive Unit Cell and a Unit Cell.

I know what a unit cell is, I wanted to find out what a primitive unit cell is so I can distinguish the 2 myself
 
A primitive cell is the smallest cell you can use to build up your crystal by simple repetition. The choice is not unique. In fact there is an infinite number of possible choices, but they turn out to all have the same volume.

In some cases like FCC or BCC one often uses a "conventional" unit cell that is bigger than a primitive one. This is done because the conventional unit cell more intuitively shows the symmetry of the crystal.

In the end, if you do your math correctly, the choice does not matter.
 
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raees29 said:
In Material Science, what is a primitive cell when speaking crystals.
Primitive unit cell contains only one lattice point while conventional unit cell have more than one point, and as said by M Quack are usually considered for symmetry purpose.
 
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hokhani said:
Primitive unit cell contains only one lattice point while conventional unit cell have more than one point, and as said by M Quack are usually considered for symmetry purpose.

That is how is defined in my book. Thus, the disadvantage of using a primitve cell is that how you can only have one lattice point inside of, sometimes you will get a pretty weird shaped cell. If you are more flexible, and if you decide to have more lattice points inside of your unit cell, you can get a better shape. For instance, if you use a cube with for lattice points, you can describe the Bravais lattice of a FCC very nicely. However, if you try to describe this very same lattice with a primitive cell, you will get a very weird thing.
Please, let me know if that helped you. I am also studying this subject, so we could discuss it together in more depth.
 
kaio marques said:
That is how is defined in my book. Thus, the disadvantage of using a primitve cell is that how you can only have one lattice point inside of, sometimes you will get a pretty weird shaped cell. If you are more flexible, and if you decide to have more lattice points inside of your unit cell, you can get a better shape. For instance, if you use a cube with for lattice points, you can describe the Bravais lattice of a FCC very nicely. However, if you try to describe this very same lattice with a primitive cell, you will get a very weird thing.
Please, let me know if that helped you. I am also studying this subject, so we could discuss it together in more depth.
You can choose a Wigner-Seitz cell that is primitive and has the full symmetry of the lattice. I think one reason of using conventional unit cells is that it sometimes makes simpler the calculations.
 

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