The result from the powder XRD have many numerical values. Can anyone help to solve the structure?
If you mean a quantitative phase X-rays analysis, please use Rietweld refinement procedure. If you , mean a calculation of residual stresses, please let me know and I will try to help you. If you mean something other, please specify what do you need.
Your question has ambiguity. Refer to JCPDS sheet and based on the data generated and Bragg' s planes you can find out the lattice pattern as well as avg.particle size using Debye Scherrer formula etc. from the plot.
X-rd data can be used to get various information.
If you just want the info that your sample is the sample you want, you can just match the data peaks with the same sample data available in litreture or JCPDS.
But if you want detailed analysis such as phases, percentage of different phases (if present) or exact lattice parameters and other information you should go for Rietveld refinement.
If you want the information on particle size and strain you can go for Williamson-Hall method or other methods. Although with moderns softwares for Rietveld refinement you get this informations.
For structure solution of a crystalline phase, you could use the software "endeavour", which is feasible for inorganic and organic compounds. Especially small to medium sized structures can be solved quite readily also by unexperienced users. As input, powder and single crystal data are suitable. A free demo version is available:
http://www.crystalimpact.com/endeavour/
If you want to learn more about the background of this approach, you can refer to:
H. Putz, J.C. Schoen, M. Jansen; Combined Method for Ab Initio Structure Solution from Powder Diffraction Data; J. Appl. Cryst.; 32; 864-870; 1999
By rietvelt refinment using highscore software ...but it depends on the quality of the powder
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