Derive Primitive Vectors in Complex Crystal Structure

In summary, the speaker is seeking help with determining the primitive vector for cuprous oxide with a cubic crystal structure containing oxygen. They also need assistance with finding the primitive vectors for titanium oxide (anatase) and zinc oxide. The solution involves looking up the space group and using the lattice parameters and angles to derive the unit cell vectors.
  • #1
ralden
85
0
Hi Guys, please help me. how can i derive the primitive vector of copper oxide (I)? basically this is cuprous oxide having a cubic crystal structure but since it has oxygen in it the directions and magnitude of primitive vector are far different compare to basic cubic structure. also please help me to figure out the primitive vector of Titanium oxide (anatase), and Zinc oxide. thanks :)
 
Physics news on Phys.org
  • #2
I don't understand the problem.

You look up the space group. The first letter of the Schoenfliess name tells you the relation between the conventional and primitive unit cell:

P: the same
I: Body centered
F: Face centered (cubic)
...

Then you can derive the unit cell vectors using the lattice parameters and angles, see, e.g. Busing and Levy, Acta Cryst. vol 22, pp 457 (1967).

http://scripts.iucr.org/cgi-bin/paper?a05492
 

Related to Derive Primitive Vectors in Complex Crystal Structure

1. What is a complex crystal structure?

A complex crystal structure refers to a type of crystal lattice that has a more complicated arrangement of atoms than a simple cubic, face-centered cubic, or body-centered cubic lattice. This can include multiple types of atoms, varying bond lengths and angles, and other structural complexities.

2. Why is it important to derive primitive vectors in a complex crystal structure?

Deriving primitive vectors in a complex crystal structure allows us to better understand the underlying symmetry and arrangement of atoms in the lattice. It also helps us to accurately describe and predict the physical properties of the crystal, such as its electrical, thermal, and mechanical behavior.

3. How do you derive primitive vectors in a complex crystal structure?

To derive primitive vectors, we first need to identify the symmetry of the crystal structure. This can be done through techniques such as X-ray diffraction or electron microscopy. Once the symmetry is determined, we can use mathematical methods, such as matrix operations, to generate a set of primitive vectors that can be used to describe the crystal lattice.

4. Are there different methods for deriving primitive vectors in a complex crystal structure?

Yes, there are several methods for deriving primitive vectors in a complex crystal structure, depending on the specific characteristics of the lattice. Some common methods include the use of crystallographic software, group theory, and geometric analysis.

5. What are some applications of deriving primitive vectors in a complex crystal structure?

Deriving primitive vectors in a complex crystal structure has many practical applications, such as in materials science, mineralogy, and solid-state physics. It can help in the design and development of new materials with specific properties, as well as in understanding the behavior of existing materials under different conditions.

Similar threads

  • Materials and Chemical Engineering
Replies
1
Views
955
  • Atomic and Condensed Matter
Replies
13
Views
3K
Replies
1
Views
7K
Replies
2
Views
2K
  • Atomic and Condensed Matter
Replies
2
Views
6K
  • Atomic and Condensed Matter
Replies
1
Views
2K
  • Materials and Chemical Engineering
Replies
4
Views
5K
  • Advanced Physics Homework Help
Replies
3
Views
1K
  • Materials and Chemical Engineering
Replies
7
Views
7K
  • Science and Math Textbooks
Replies
1
Views
2K
Back
Top