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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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