Hello Shawn Devaraj

1 - Learn Refinement is a continuous process, because the techniques improve continuously. Rietveld Refinement is covered in many books. I recommend this one for start:

FUNDAMENTALS OF POWDER DIFFRACTION AND STRUCTURAL CHARACTERIZATION OF MATERIALS by Vitalij K. Pecharsky and Peter Y. Zavalij

You will understand the basis about Rietveld Refinement. But to understand the software you are using, it's better to look for tutorials covering each aspects. The softwares sometimes update and change some parts, so a book with this detainment may not be useful because it would be outdated rapidly.

2 - The minimum file you will need are the IF file and the data. Instrumental parameters are not necessary to make the software work, but they are essential to estimate crystallite size correctly.

3 - Lattice parameters are present in CIF files. If you are trying to refine a sample with a CIF file, you are already guessing that your sample has a structure similar to that CIF. Peak shapes can be modified inside the softwares.

Just one more advise: The softwares like GSAS-II, Fullprof, etc., are different. I recommend you learn ore than only one. There are functionalities and facilities that differ from one to another.

Best regards,

Ricardo Tadeu

Hello Shawn Devaraj. During the development of my doctoral thesis, I produced a practical manual aimed at beginners in Fullprof. I hope you find it useful https://editora.uespi.br/index.php/editora/catalog/book/223

I also highly recommend the book: "Fundamentals of Powder Diffraction and Structural Characterization of Materials" by Vitalij K. Pecharsky Peter Zavalij. You can buy a copy online from Springer (or Amazon), and I believe you can read a copy from the online library at archive.org.

Hello, I would like assistance with refining Na₃Zr₂Si₂PO₁₂ (NASICON). I have been experiencing some challenges in refining this phase.

Below are the steps I've used:

Scale factor

Zero-point detector

First background

Lattice parameters

Peak shape (Eta, X, U, W, IG, V)

Atomic positions

Occupancies

B-ISO (individual)

I am also working on a double perovskite material. But my data doesn't fit because no peak appears in the theoretical calculated line. The theoretical calculated line always get flat . What should I do ?

Thank you so much for your answers everyone! I have been reading the textbook as recommended and i have been finding it very helpful. Joao Ferreira Da Cruz Filho sir is there a translated version of the manual in English? Unfortunately i do not understand Portugese

@Shawn Devaraj unfortunately not, this manual was written in my native language to help the research group I am part of and it was also a requirement of the publisher that published it. Now I am committed to making a more comprehensive version for the english language.

how to import( xls file) type in to FPS program?