Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

Derive Primitive Vectors in Complex Crystal Structure

  1. Nov 28, 2014 #1
    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 :)
  2. jcsd
  3. Dec 3, 2014 #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).

Share this great discussion with others via Reddit, Google+, Twitter, or Facebook