Dear Colleagues
Good day
I would like to ask about the parameter (dhkl spacing) that we obtained from the XRD data, is it the spacing between grains or particles or atoms? And are the particle and the atom the same (i.e. the particle is the atom itself)?
Best regards with gratitude
Fayroz
The d-spacing can described as the distance between planes of atoms that give rise to diffraction peaks. Each peak in a diffractogram results from a corresponding d-spacing. The planes of atoms can be referred to a 3D coordinate system and so can be described as a direction within the crystal. So d-spacing as well as having a dimension, usually quoted in Ångstroms, can labelled with a plane direction hkl. This is why there is a subscript, it refers to a distance in that plane. Please read up on the Bragg equation - this will give you the information you need. I have added a link to the book by B. D. Cullity which is a seminal text.
https://archive.org/details/elementsofxraydi030864mbp
Dear Fayroz
You need to develop good basics. I recommend you go through the books "X-ray diiffraction by Cullity" and also book by Klug and Alexander on these aspects.
The d-spacing can described as the distance between planes of atoms that give rise to diffraction peaks. Each peak in a diffractogram results from a corresponding d-spacing. The planes of atoms can be referred to a 3D coordinate system and so can be described as a direction within the crystal. So d-spacing as well as having a dimension, usually quoted in Ångstroms, can labelled with a plane direction hkl. This is why there is a subscript, it refers to a distance in that plane. Please read up on the Bragg equation - this will give you the information you need. I have added a link to the book by B. D. Cullity which is a seminal text.
https://archive.org/details/elementsofxraydi030864mbp
The d-spacing is defined as inter-atomic spacing (D value in Angstrom units - 10-8 cm).
Each crystalline solid has its unique characteristic pattern which may be used as a "fingerprint" for its identification by XRD method.
d-spacing :can be defined as the spacing between successive (hkl) planes ,and about the question of atoms and particles ,as we know that the logical relation of Crystal structure ( lattice+basis=Crystal structure) , and according to definition of basis (when basis of atoms attached identically to each lattice point , we have Crystal structure)
Thank you very much... I really got benefit from your replies.
Best regards
Fayroz
XRD d value from the diffractogram (Powder Diffraction)of the material
Theory Behind Calculations:
X-Rays are having wavelength between 0.01nm to 10nm. So it can can a useful technique to characterize different types of materials.
So, d- spacing can be calculated easily from the formula as:
Bragg's Law: nλ=2dsinθ
Or Order of Reflection (n) × Wavelength (λ) = 2 × Interplanar spacing (d) × Sinθ
Peak Position: (2 Theta)
X-Ray Wavelength(Lambda) : 1.5406 A(for Cu)
Order of Reflection : (n)
The d-spacing or the lattice spacing or inter-atomic spacing is the distance between the parallel planes of atoms. It is the minimum distance between two planes.
d-space can be defined as the distance between two atomic planes or net planes. this distance causes the peaks to raise in the XRD
we can calculate d- spacing from the following formula (Bragg's Law)I
nλ=2dsinθ
n: Order of Reflection
λ: Wavelength ( 0.01~ 10 nm )
d: d-space or lattice space ( Ångstroms, Å)
θ: Peak Position, Degree (obtained from XRD)
whether the d spacing is the distance between the same atomic planes or can be for different planes.
Dear Deepu Thomas ,
the planes are the same, identical ones. They are parallel to each other.
Remark:
in general from the formal mathematical point of view there are no 'atomic' planes in the description. The points which set up a reflection plane are lattice points. d is the lattice plane distance. Only in lattices having a quite simple basis these lattice points often coincide with atomic positions.
For the relation between the terms 'lattice', 'basis' and 'crystal structure' please see the answer of Saleem Azara Hussain above.
Hagos Sibhatu
You need to ask a separate question and not hijack this thread.
There is no relationship, in general, between the intensity and 2-theta position.
can anyone tell me that can we find the d-spacing from omega-degree, or we can only find by 2theta-omega?
The d-spacing is a crystalline unit (in minerals the 1: 1 crystal unit includes a tetrahydra layer and an octahydra layer, while 2: 1 mineral contains two layers of tetrahydra and one layer of octahydra, including the crystal space.
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