There are 232 space groups and 32 point groups. My crystal structure is orthorhombic with pbcn space group. Would you suggest any book or website to determine the space group of crystal structure clearly?
For space group determination you need to analyze the miller indices of every reflection and determine the systematic absences, for example, in all your h00 reflections, h is even. Then you continue with the 0k0 reflections and so on. The complete set of systematic absences and how to follow it, can be found in the International Tables for Crystallography, Volume A. In the same book you can found the description of every symmetry element and how to interpret the "P", "b", "c", and "n" of your space group. There is also an online version of the book http://it.iucr.org/Ab/
You can use the Bilbao Crystallographic Server (http://www.cryst.ehu.es/) or the findsym program (http://stokes.byu.edu/iso/findsym.php)
You can use the Bilbao Crystallographic Server (http://www.cryst.ehu.es/) or the findsym program (http://stokes.byu.edu/iso/findsym.php)
Kotagiri, I'm not sure what question you're trying to ask. You say that you already know your crystal has the space group Pbcn. If you are trying to understand the symmetry elements that make up this space group, you should check a space group diagram. These are available here:
http://img.chem.ucl.ac.uk/sgp/large/sgp.htm
Pbcn is space group number 60.
For space group determination you need to analyze the miller indices of every reflection and determine the systematic absences, for example, in all your h00 reflections, h is even. Then you continue with the 0k0 reflections and so on. The complete set of systematic absences and how to follow it, can be found in the International Tables for Crystallography, Volume A. In the same book you can found the description of every symmetry element and how to interpret the "P", "b", "c", and "n" of your space group. There is also an online version of the book http://it.iucr.org/Ab/
Thanks to all....
I found the book for crystallography and world of symmetry.
It's good book and very helpful.
Agreed, but it still does not provide solution to one big problem: How do i find out (step-by-step) the space group/point group of a given crystal structure (e.g. Spinel, perovskite, or even simple BCT etc..) or some real world objects, manually from scratch. What sequence rules have to be followed, after having all the necessary knowledge of point group symmetry operations ? If anyone has idea, please post here. thanks.
Not sure if it is still relevant after 3 years, but I find this helpful
http://pd.chem.ucl.ac.uk/pdnn/symm4/practice.htm
- Badges
- Science method
- Similar topics
- Methodology
- Crystallography