Dear Researchers,
I have prepared new lead free perovskite but thier crystal structure is not reported. I have tried but I did not get the crystal too. I have recorded the powder XRD. Please suggest the way or other characteristics needed to confirm their formation.
Dear Khursheed Ahmad
The confirmation of new perovskite structure depends on two ways:
1- Single crystal X-ray, if you have a good crystal.
2- Rietveld method for powder X-ray diffraction
As you said, you don't have a good crystal. Now you must have a good X-ray powder diffraction pattern without impurities. Then can try to index your X-ray pattern to find the space group and then refinement your structure depending on Rietveld method. There is a lot of commercial and free software can do this and it helps you a lot to predict the geometry structure of your compounds.
Regards,
As it is well known that perovskites have ABO3 type structure. Due to radii of A and B atom (tolerance factor) it consist distortion from higher symmetry to lower symmetry. First you should calculate the tolerance factor of your system for whatever you synthesize. If you have synthesized new material then by using idometric titration calculate the oxygen occupancy in your system. It will help to tell you whether your system in ABO3 or ABO3-d (d-delta). Then do EDAX for your system where you will get the elemental analysis and weight percent of elements present in the system. Then do XRD and match it with parent perovskite structure by using Rietveld Refinement. Then you can say what will be the space group and structure of the system. If it is not matched with the known perovskite, also check is your system is pure or multiphasic. If it is not multiphasic and you have got a totally new structure, analyse its XRD using Dicvol or treror or Itios method inbuilt in X'pert high score software.
Thank you
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