Hello Raja, I'm attaching a publication that has the equations you need to calculate the unit cell parameters from d-space. The complexity of the equation depends on the crystal system, in the simplest case of a cubic system your d-space is equivalent to a,b and c and your angles are 90 degrees.

Hello Raja, I'm attaching a publication that has the equations you need to calculate the unit cell parameters from d-space. The complexity of the equation depends on the crystal system, in the simplest case of a cubic system your d-space is equivalent to a,b and c and your angles are 90 degrees.

We have discussed this previously in Research Gate. So please look all those discussion.

yes.. you can find the lattice parameters by fitting the xrd data with fullprof software.

Hi mahesh,

how to get that fullprof software kindly help

warm regards

hi.. you can download fullprof software from this link.

http://www.ill.eu/sites/fullprof/php/downloads.html

Dear mahesh,

thanks for your link. I have got it downloaded. can you suggest me any manual or method to be followed to calculate the lattice parameters. I have one more question to you, can we caluclate structural parameters like bond length and bond angles using powder xrd? kindly reply

thanks

Lattice parameters and structure data are in fact two very different problems for the powder diffraction. If you do not have any initial model, you can more or less easily find lattice parameters with indexing software like DICVOL or TREOR, but complete solving of the structure requires lots of experience. On the other hand, if you know basic structural features, you can do Rietveld refinement and get all the data that you want.

hi A. B. Missyul,

Thank you for your comments...

Hi sir,

I will get those from you.

Thanks....

Using the Rietveld refinement method can get lattice parameters. Some useful software free are Maud (free), fullproff (free), and with licenced are Jade, Highscore Plus, etc.

Simply you can index your XRD pattern manually and you can get the information regarding cell parameters... 

Even it is possible to index the pattern by using softwares EXPO-2011 is free software for academic purpose, in which Treor ITO packages are there which are mainly used for PXRD indexing....

I use Expo 2014 with treor for indexing and determining cell parameters.

use TREOR

It is possible to manually index your XRD pattern for cubic structures. However, non-cubic structures are quite complex to index manually. There are softwares (such as the Highscore software) available for this.