Miller Indices of Simple Cubic Lattice

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SUMMARY

The discussion centers on the interpretation of Miller Indices in the context of x-ray diffraction patterns for a simple cubic lattice. The user initially questions whether higher order spots, such as [200] and [300], would appear in the diffraction pattern when the x-ray beam is aligned normal to the [100] plane. After analyzing Bragg's Law, the conclusion is that higher index spots do appear due to higher order diffraction, not because of tighter packed planes. The user confirms that the correct understanding involves recognizing the role of the diffraction order (n) in relation to the Miller Indices.

PREREQUISITES
  • Understanding of Miller Indices in crystallography
  • Familiarity with Bragg's Law and its application in x-ray diffraction
  • Knowledge of simple cubic lattice structures
  • Basic principles of x-ray diffraction techniques
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  • Study the derivation and application of Bragg's Law in detail
  • Explore the concept of higher order diffraction in x-ray crystallography
  • Learn about the significance of Miller Indices in different crystal structures
  • Investigate the relationship between atomic spacing and diffraction patterns
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Students and researchers in materials science, crystallography, and physics, particularly those focusing on x-ray diffraction analysis and crystal structure characterization.

mkphysics
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I'm trying to get my head around indexing x-ray diffraction patterns and this thought experiment stumps me. Let's say I have a crystal with a simple cubic lattice structure:

http://ecee.colorado.edu/~bart/book/sc.gif

I align a narrow x-ray beam incident on the crystal so that the x-ray beam direction vector is normal to the crystal 100 plane. I then observe the pattern of spots created on an observation screen downstream of the crystal. I would expect to see a spots with index [100]. Would I expect to see spots with indexes 200, 300, etc? That is would I expect to see spots with indexes [X00] where X is larger than 1? If so why? My understanding is that the planes associated with Miller Indices are determined by planes passing through atoms within the crystal lattice and that higher index values indicate closer plane spacing. In a simple cubic lattice [100] would be defined by adjacent planes of atoms within the lattice but [200] would require a plane of atoms with a spacing half the minimum distance possible between atoms. Therefore I would NOT expect to see higher order spots in the diffraction pattern.

Am I thinking about this correctly or not?
 
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OK. I think I worked it out. The key is to remember that Braggs law is nl = 2d sin(T) NOT l = 2d sin(T) where n is diffraction order, l is wavelength, d is plane spacing and T is angle of diffraction. If d = a/sqrt(h^2 + k^2 + l^2) then Braggs law is

nl = 2*a/sqrt(h^2 + k^2 + l^2)*sin(T)

After rearranging the equation

l = 2*a/sqrt(n^2(h^2 + k^2 + l^2))*sin(T)
l = 2*a/sqrt(nh^2 + nk^2 + nl^2))*sin(T)

Photons which are second order diffracted (n=2) from the [hkl] = [100] plane occur at equivalent locations to x-rays which are first order diffracted (n=1) from the [hkl] = [200] plane (if a [hkl] = [200] plane existed).

Therefore I WOULD expect to see HIGHER INDEX, X00 (X>1), spots due to higher order diffraction NOT the presence of tighter packed planes.
 
I was bothered with the same "controversy".
It didn't take you long to solve your own question.

Thanks.
 

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