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I have an XRD Graph(plotted data peaks between 2theta and intensity).I already Know the d-value corresponding to each peak.The material has an orthorhombic symmetry.What more information can I calculate or measure using XRD data.?

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  • $\begingroup$ Depends. If not a one-element sample one might be able to get site occupancies, for example. $\endgroup$ – Jon Custer Mar 23 '18 at 14:53
  • $\begingroup$ You might be able to get the atomic positions of all of the atoms within the orthorhombic cell. Also, you can calculate the absolute volume of the orthorhombic cell which can be useful for experiments such as high-pressure experiments where you want to study changes in the cell volume with changes in pressure in order to determine the compressibility of the material. $\endgroup$ – Samuel Weir Mar 23 '18 at 19:29

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