XRD d value Calculator

XRD d value Calculator

Peak Position (2θ)

X-Ray Wavelength

Order of Reflection (n)


Calculation Tutorial:

STEP1: Open the XRD graph of the material, which is obtained from the instrument. Raw HTML 2 Theta I n t e n s i t y 20 25 30 35 40 45 0 1000 2000 3000 4000 5000 STEP2: Now zoom on the area for which you want to calculate the d value and note down the angle at which peak is shown. Raw HTML 2 Theta I n t e n s i t y 20 25 30 35 40 45 0 1000 2000 3000 4000 5000 31.8 STEP3: Now enter the measured Peak Position (i.e. 31.8 degree) in "Peak Position (2 Theta)" column of the calculator. You should get the calculated results of the d value in the "Calculated Result" field.

NOTE: Default value of wavelength of LASER is set is 0.15418, which is mostly used in the instruments; and Order of Reflection is 1. You can also change these values as your desire if you want.

Theory Behind Calculations: X-Rays are having wavelength between 0.01nm to 10nm. Hence X-Rays can penetrate inside the crystal structure of any material very easily; and tells us the properties of material while coming out from that material. Which is why X-Ray spectroscopy is very useful technique for characterization of different types of materials.

Bragg's Law:

Order of Reflection (n) × Wavelength (λ) = 2 × Interplanar spacing (d) × Sinθ

So, Interplanar spacing can be calculated easily from the formula as:

Interplanar spacing (d) = Order of Reflection (n) × Wavelength (λ) / 2 × Sinθ

Post a Comment

  1. Song byeong heon31 March 2018 at 19:53

    how could I calculate theam??

  2. Song byeong heon31 March 2018 at 19:54

    I wonder the exact equation about that

  3. what will be effect if d spacing is increasing as concentration of dopinf increases

    1. More likely because of the ionic radii of your dopant greater than the ionic radii of the host.

  4. Very interesting.Thank you.

  5. that is what I really looking for thank you..

  6. why lattice parameters important and what these values tell us while characterization

  7. We do not spend much time thinking. Thank you to the author of this site.

  8. very useful......thank you v. much

  9. the angle measure in degree or in radian


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