What is the reason that much of the XRD peaks of a single phase match with theoretical pettern, but one peak does not match in intensity?

More Santanu Pathak's questions See All

What is the advantage of gas loading in diamond anvil cell (DAC) compared to liquid?

Gas loading (as pressure medium) in DAC requies cryogenic facility. What is the advantage of the gas loading compared to liquid?

10 November 2018 607 2 View

Is there any script file in WIEN2k for optimization of various parameters, e.g., RKmax, K-mesh, Gmax?

Before starting SCF cycle for calculating energy or band structure its necessary to optimize the parameters e.g., RKmax, K-mesh, Gmax in WIEN2k as well as any DFT code. Is there any script file...

08 September 2018 2,435 3 View

What is the nearest neighbour distance and co-ordination number if all the neighbors stay at different distances in a lattice?

If in a lattice structure with lower symmetry, one atom is surrounded by atoms with different distances in the unit cell, what will be the the nearest neighbor distance and number of nearest...

06 July 2018 8,040 4 View

Is this possible that bulk modulus increases with pressure?

For any oxide material, is it possible that bulk modulus decreases,i.e., compressibility increases with increasing pressure? Is there any instance for that?

05 June 2018 5,099 3 View

How is coordination no of any atom calculated for lower symmetry crystal structures?

For an oxide in orthorhombic structure, I can see 10 oxygen atoms are surrounding a metal atom, but the very atom is reported to be 7-coordinated. I can't understand how should I determine...

31 December 2017 9,736 3 View

What is the meaning of the numbers in .gsa file?

I convert an XRD data to a .gsa extension file and use it as input/ histogram of GSAS. But can't understand the numbers in the file. May anybody let me know what do the numbers mean?

09 October 2017 5,024 0 View

How may I understand reliability of my atomic position refinement using Rietveld method in GSAS physicswise (not mathematically)?

I am refining a synchrotron XRD data of oxide ceramic using Rietveld method in GSAS. After refining cell, profile parameters chi2 is 1.2. If I refine the atomic positions now will they be...

08 September 2017 9,447 4 View

How reliable are grain size, strain measurement from GSAS parameters or how to make the refinement for size, strain measurement reliable?

I use profile type 2 in GSAS for refinement of oxide ceramic material. Grain size and microstrain may be calculated from the profile parameters LX, LY respectively. I want to know how much...

08 September 2017 9,693 3 View

In Rietveld refinement what is the meaning of toggling of atomic position between 2 values?

I am refining a material with 3-atom formula by rietveld refinement method using GSAS. I am attempting to refine the atomic position of the lightest atom at the very last and seeing that the x,y,z...

08 September 2017 9,251 3 View

I need JCPDS file of LSFCO nanomaterial. Can anyone provide me?

Require for Rietveld refinement in XRD.

08 August 2024 3,081 2 View

How to understand this crystallographic phenomenon of low temperature crystals in zeolite?

During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...

06 August 2024 726 3 View

How to fix background error in rietveld refinement of one XRD peak using GSAS-II?

I want to refine one XRD peak of my in-situ xrd but the background is never working good which ultimately fails the refinement. How to refine and adjust the background using GSAS-II

05 August 2024 5,291 2 View

How to calculate the molar proportions of the oxides from the XRF analyses?

02 August 2024 2,565 2 View

Hello, regarding Mxene 2D titanium carbide?

I fabricated Ti3C2Tx using concentrated HF 40%, I plot an XRD as attached image below.. please let to know if I obtained it or not.

02 August 2024 6,789 4 View

Why Powder XRD is performed after cruhsing a crystal if Single Crystal XRD analysis of the same crystal has been performed already ?

What information we can get from PXRD analysis other than from SCXRD analysis of a crystal ?

30 July 2024 6,261 4 View

Can anyone guide me the best method to analyze the XRD data???

I will be doing an XRD on a sample which is powdered in natured and is a hydrogenated compound. I would like to know how we can understand the individual components and components by using the...

28 July 2024 4,548 2 View

Guidance needed for preparing the hydrogel samples for the XRD instrument?

I'm working with a hydrogel sample and I'd like to perform XRD analysis. Can anyone offer guidance on preparing the hydrogel for the XRD instrument? Specifically, I'm unsure about the best method...

20 July 2024 3,611 4 View

Can we measure the 2θ variation within a 5° range on a Bruker D2 Phasor XRD? is it compatible with diffraction angles (2θ) below 10°?

Can we measure the 2θ variation within a 5-degree range on a Bruker D2 Phaser XRD machine? I have experienced problems with diffraction angles (2θ) below 10 degrees. Is this range within the...

13 July 2024 2,615 4 View

How can i elucidate a compound using xrd?

XRD analysis

08 July 2024 977 4 View

Gerhard Martens

Dear Santanu,

you may share your diffractogram(s) and tell us what type of sample you are dealing with. So we could better draw conclusions.

Elangbam Chitra Devi

Changes in relative intensity ratios also gives an idea about the changes in the atomic positions.

A. A. Zisman

Most probably you have the texture effect- a part of related matter falls into less probable orientation .

Sorb Yesudhas

I think such perfection you can't expect from powder XRD and it can be possible from single crystal XRD.