Embedded Files
Day 1
08.00 pm IST
Introduction to the MATCH Software
Phase identification using Match
Advanced option in the MATCH software
Refinement using Match software
Day 2
08.00 pm IST
Rietveld Refinement Method using FullProf for Crystallographic Structures using Powder X-ray Diffraction Data
Day 3
08.00 pm IST
Gathering information needed for refinement
Preparation of PCR file
Observing data files (DAT) file
Structural refinement using actual XRD data
Identifying single phase / multiphase from XRD data
Understanding the results
Day 4
08.00 pm IST
Powder XRD data analysis
Identifying single phase / multiphase from XRD data
Day 5
08.00 pm IST
Introduction to the Powder cell
Advantages of powder cell
Le Bail Fitting
Gathering information needed for refinement
Preparation of PCR file
Structural refinement using actual XRD data – Rietveld Refinement on powder XRD data of single-phase samples (Perovskites/Metal Oxides/ nano particles) using FullProf Understanding the results
Assignment 1- Rietveld Refinement on powder XRD data of a given single-phase sample
Day 6
08.00 pm IST
Assignment I evaluation & doubt clearing
Day 7
08.00 pm IST
Rietveld Refinement on powder XRD data of multiphase sample (Perovskites/Metal Oxides/ nano particles/Alloys) using FullProf
Identifying single phase / multiphase from XRD data
Adding additional phases
Carrying out multiphase refinement Understanding the results
Day 8
08.00 pm IST
Rietveld Refinement on powder XRD data of multiphase sample (Perovskites/Metal Oxides/ nano particles/Alloys) using FullProf
Identifying single phase / multiphase from XRD data
Adding additional phases
Carrying out multiphase refinement Understanding the results
Assignment 2- Rietveld Refinement on powder XRD data of a given multiphase sample
Day 9
08.00 pm IST
Assignment evaluation & doubt clearing
Day 10
08.00 pm IST
Drawing the crystal structure, Bond lengths, bond angles etc
Assignment 3- Assignment on drawing the crystal structure, calculation of bond lengths, bond angles etc
Day 11
08.00 pm IST
Assignment evaluation & doubt clearing
Day 12
08.00 pm IST
Introduction to JANA
Le bail fit or profile match in JANA using X-ray or powder neutron diffraction data.
Rietveld refinement of XRD data using JANA with the help of cif file.
Day 13
08.00 pm IST
Rietveld refinement from scratch (without cif file) in JANA.
Multiphase fit in JANA.
Day 14
08.00 pm IST
Understanding the results for publication.
Plotting the results with error bars
Plotting the refined data and structure for publication
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