D spacing from X-ray diffraction data

In summary, to get the d-spacing from XRD data using Bragg's law, you need to plot the data and determine the 2theta values of the peaks. If you know the crystal structure and family of planes, you can calculate the d-spacing easily. If not, it may be more complicated. To find the a, b, c lattice parameters, you can refer to a book on XRD such as Cullity and use the formula for Bragg angle as a function of h, k, l, and a, b, c to find the parameters.
  • #1
mushdj
4
0
How do get the d spacing from XRD data, using braggs law. I am unsure how to actually obtain the value of d. I have attached the file as a text file with the data in.

Many thanks for the help.
 

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  • #2
Plot this and find out what 2theta value your peaks occur at. If you know the crystal structure and the family of planes you wish to find the d-spacing for it is just a simple calculation.

If you don't know the crystal structure, its more complicated.
 
  • #3
Hi Goalie33,

I know it is YBCO (superconductor) in its superconducting phase so it has an Orthorhombic crystal structure.

Does this help at all? What I really want to do is to determine the a, b, c lattice parameters.
 
  • #4
Hi,
I think you're making this out to be a more complicated operation than it needs to be. I would suggest getting a good book on XRD from the library (I like Cullity). It will nearly walk you through the steps to find a, b, and c.

Now, the book will give you a formula for bragg angle (NOT 2 THETA) as a function of h,k,l and a,b,c. Knowing that the a,b,c d-spacings correspond to the (001) type planes you can find a,b, and c easily. Hope this helps.
 

Related to D spacing from X-ray diffraction data

What is "D spacing" in X-ray diffraction data?

D spacing refers to the distance between crystal planes in a crystalline material. It is an important measure in X-ray diffraction as it provides information about the arrangement of atoms in a material.

How is D spacing calculated from X-ray diffraction data?

D spacing is calculated using Bragg's Law, which states that the angle of diffraction is directly proportional to the spacing between crystal planes. By measuring the angle of diffraction and using the known wavelength of the X-rays, D spacing can be calculated.

What factors can affect D spacing in X-ray diffraction data?

The main factors that can affect D spacing in X-ray diffraction data are the wavelength of the X-rays, the angle of incidence, and the crystal structure of the material. Changes in any of these factors can result in a shift in the D spacing values.

Why is D spacing important in X-ray diffraction analysis?

D spacing is important because it provides valuable information about the crystal structure and composition of a material. By analyzing the D spacing values, scientists can determine the type of crystal lattice, the size of the unit cell, and even the presence of impurities or defects in the material.

What are some common applications of D spacing analysis in X-ray diffraction?

D spacing analysis is widely used in various fields such as materials science, geology, and pharmaceuticals. It is used to identify and characterize crystalline materials, determine the purity of a sample, and study phase transformations in materials. X-ray diffraction data and D spacing measurements are also used to identify unknown substances and develop new materials with desired properties.

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