Find Primitive Cell from Monoclinic Conventional Cell

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In summary, a primitive cell is the smallest unit cell that contains the complete symmetry of a crystal lattice. In monoclinic conventional cell, it is found by performing a "conventional to primitive cell transformation" and is important in simplifying the description of a crystal structure and understanding its symmetry and properties. There are software and tools available to help find the primitive cell from a monoclinic conventional cell, and in monoclinic crystals, the primitive cell can be different from the conventional cell due to their different purposes.
  • #1
ahmedamine_dz
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I have a monoclinic conventional cell with atomic positions obtained from a structural database,
and I need to know the primitive cell for that lattice.
is there any code to do that like vesta or crysden thank you in advance
 
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The International Tables for Crystallography list these kind of things in one of the volumes. I can't remember which one, though, sorry.

You may also find some useful information on the Bilbao Crystallographic Server.

http://www.cryst.ehu.es/
 
  • #3
differentiate between unit cell and primitive cell?
 

Related to Find Primitive Cell from Monoclinic Conventional Cell

1. What is a primitive cell in monoclinic conventional cell?

A primitive cell is the smallest unit cell that contains the complete symmetry of a crystal lattice. In monoclinic conventional cell, it is the cell that is used to define the lattice parameters and is usually chosen to have the highest symmetry possible.

2. How can I find the primitive cell from a monoclinic conventional cell?

To find the primitive cell from a monoclinic conventional cell, you will need to perform a transformation called a "conventional to primitive cell transformation". This involves identifying the lattice vectors and applying a transformation matrix to convert the conventional cell to its primitive form.

3. Why is finding the primitive cell important in crystallography?

Finding the primitive cell is important in crystallography because it helps to simplify the description of a crystal structure and allows for the identification of the underlying symmetry of the crystal. It also helps in understanding the physical and chemical properties of the crystal.

4. Are there any software or tools available to find the primitive cell from a monoclinic conventional cell?

Yes, there are several software and tools available that can help in finding the primitive cell from a monoclinic conventional cell. Some examples include the Bilbao Crystallographic Server, Materials Project, and VESTA software.

5. Can the primitive cell be different from the conventional cell in monoclinic crystals?

Yes, in monoclinic crystals, the primitive cell can be different from the conventional cell. This is because the conventional cell is chosen to have the highest symmetry possible, while the primitive cell is the smallest unit cell that contains the complete symmetry of the crystal lattice.

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