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XRD Analysis

using

XRDA Software

Dr. K. Saravana Kumar1

Download the XRDA

software for analysis.

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Go to http://saravanakumar23.blogspot.in/.

Then click on the link for XRDA software.

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Download the zip file and extract the contents of the file to

C:\XRDA31

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This is the content of the C:\XRDA31 folder.

Now search for X31.exe file to open the XRDA software.

Getting ready with the data

file from various instruments,

using OriginLab Origin

plotting software.

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Using OriginLab Origin

software, import the data

file into the software.

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After import, select the

two column data to be

exported.

9 After selection, export as

ASCII two column file with

“comma(,)” as separator.

File will be saved as

“filename.dat”, with two

column data separated by

“comma”.

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After selection, export

as ASCII two column

file with “comma(,)” as

separator.

File will be saved as

“filename.dat”, with

two column data

separated by

“comma”.

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A sample file ready to be

used with XRDA software.

Now ready to start analysis

using XRDA software. Copy

the data file into

C:\XRDA\

folder.

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Before proceeding with further

analysis, save the file as

“filename.XRD”. This saves the

analysis data in the same folder

for future retrieval.

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Select the Lorentzian fit and now the peak have to be

selected.

Now for peak selection, first Left click on left of the particular

peak, then right click on the peak and again Left click on the

right of the particular peak.

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Peak selection then gives a list of peak with two theta, fwhm and

area under the peak.

Select a peak and right click to enter the hkl value for the peak.

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Click on Phase I, enter the relevant details and click Fit Structure.

This solves the structure with given data. After that click ok to finishthe procedure.

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The diff column should not show any values in black, then the given

a, b, c and v values can be taken as final.

If any values are shown in black, the corresponding peak has to be

thoroughly checked with previous given procedures.

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