X'Pert is a powerful software for XRD data analysis. It has several options for calculation of lattice parameter, Scherrer equation, etc.

Good Luck!

Finding the lattice parameters from powder diffraction pattern (indexing) is possible with several freely available programs.

For example FOX:

http://vincefn.net/Fox/Manual/Indexing

http://vincefn.net/Fox/

It's a software designer rather to structure solution, but with many other useful options.

Some of the other free software is listed here:

http://www.ccp14.ac.uk/solution/indexing/

Besides free software, I recommend X-Cell

http://accelrys.com/resource-center/case-studies/xcell.html

and Topas

http://www.bruker.com/products/x-ray-diffraction-and-elemental-analysis/x-ray-diffraction/xrd-software/applications/xrd-software-applications/topas.html

BTW, dealing with powder data is not always simple. Start from the identification of possible phases reported in the literature.

Good luck!

Download full prof TB suite. Select peaks and then run dicvol file. A pcr file will be generated.Run that file and you will get lattice parameters.

I agree with the comments above. Indexing a powder pattern is not always easy and if its a simple binary or ternary oxide then comparison with known phases of similar stoichiometry can be useful. Most indexing programs will find multiple solutions based on your selected peaks. Whilst they usually provide figures of merit (typically M and F which you should try and maximise) for each structure, you will need to decide for yourself which solution is best. If you know your composition then this might help a little, especially for organic materials where non-H atoms typically occupy 16-18A^3.Thus if you know the structure you can guess the approximate volume of one molecule and your unit cell is likely a multiple of this (e.g. 2 for triclinic, 4 for monoclinic etc).

If your University has access to the Cambridge Structural database (CCDC) then you should also be eligible to download and run DASH. This has dicvol built into it (see Moshin's answer) and is quite user-friendly. Sometimes McMaille can be useful for indexing difficult structures. Its not quite so user friendly but I've found it helpful too and its freeware.

http://www.ccdc.cam.ac.uk/Solutions/PowderDiffraction/pages/DASH.aspx

http://www.cristal.org/McMaille/McMaille-v3.html

Dear Mohsin Jafar.

I have this Fullprof TB suite .But I do not know how to input my Xrd data which in .raw/.asc format and then select peaks and run the file. I am a beginner.So could you tell me the steps to do that ?

Dear Satish,

Can you kindly tell me the name of the instrument from which you took your data.

If your instrument is Pan-analytical, you have to select "open pattern file" and select Pan-analytical formats.

If you have instrument of Rigaku corporation convert it into text file and select Rigaku rint in the above mentioned heading.

This varies from instrument to intrument. So it is essential to know the name of the instrument.

Dear Mohsin, The instrument is of panalytical ..Well! There are lot of options in it. It takes so much of time for me I guess . :)

Dear satish,

First of all-you convert your data from .raw to .udf format in the software available with the instrument and save that. Then in open pattern file click "Pananalytical Formats". You can view your data in winplotr.

I think no software has the option for finding out the lattice parameters for a rhombohedral system(If I am right). Even this Fullprof has no option .

Rhombohedral system should be indexed as a hexagonal/trigonal system

Oh..We can consider like that and run the calculations? We don't get any error? Is it a traditional way of doing ?

Rhombohedral and trigonal lattices are related by symmetry. So basis set for structure calculation are same for trigonal and rhombohedral. So it should not have any error.

But the a,b,c and alpha,beta,gamma values are different for both of these know? I think we may not be able to consider it is same for all of the compounds..

whatever you find in trigonal lattice, is acceptable. u dont need to worry about that. moreover synthesis in nano form may give rise to other lattices. for example bulk cerium phosphate is monoclinic but in nano form you can get hexagonal upto 373 K. So dont worry about it.

Ohk..Thank you # Mohsin

if u want to know about lattice parameter u must use JCPDS CARD its a free software

Do you have this JCPDS very latest database? #Shanmugaselvan

from JCPDS CARD you can get the detail about the crystal stricture then u use the calculation

LATTICE PARAMETER FOR

cubic1/a2=h2+k2+l2/a2 (in here the 2 are indicate square)

Hexagonal =4/3(h2+k2+l2/a2)+l2/a2

like this each and every system have separate equations for calculating lattice parameter

no friend I have database up to 2002 only

If u have any upgrade version up to this please send the link

Even I have the 2002 database only..I am looking for the latest version dear.If I could find it I will send the link...

Thank you friend