Find ##2\theta## Values from Rotated Crystal and Intensity

In summary, the problem involves finding the angles at which scattering can occur for a crystal with a triangular lattice of white atoms and a triangular basis of grey atoms attached to them at angles of 0, 60, and 120. Using the Bragg condition and the form factors of the atoms, the allowed angles can be determined and the relative intensities of the scattered radiation can be calculated.
  • #1
GL_Black_Hole
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Homework Statement


Consider the crystal in the attached image (https://ibb.co/ftMrBH) (a triangular lattice of white atoms with a triangular basis of grey atoms attached to them at angles of 0, 60 and 120. From a previous problem the fractional coordinates of the atoms in the basis are (0,0), (1/2,0), (0,1/2) and (-1/2,1/2). Assume that the nearest neighbour distance between the atoms is A, and that the wavelength of the incoming x-rays is 1.5 A. If the incoming x-ray is along the ##x_{lab}## direction what are the angles ##2\theta## at which scattering can be observed if the crystal is rotated through an angle ##\phi## between 0 and 90 degrees? If the ratio of the form factor of white atoms to the form factor of grey is atoms is 4, what are the relative intensities of the scattered radiation at each ##2\theta##? Use the reciprocal lattice and the condition ##q=G##.

Homework Equations


##q=G##, ##|G|<2k =\frac{4\pi}{1.5}## ,##b_1 = \frac{2\pi}{a}(x-\frac{1}{\sqrt{3}} y)##, ##b_2 =\frac{2\pi}{a}\frac{2}{\sqrt{3}} y##

The Attempt at a Solution


I tried to start by finding the angles when ##\phi =0##. If I can do this then the rotated case should be nothing more complicated then applying a rotation matrix and following the same steps because ##k_0## doesn't change but the components of the reciprocal lattice vector in the lab frame do. Decomposing ##k_0 = \frac{2\pi}{1.5} x##, and ##k' = \frac{2\pi}{1.5} (cos(2\theta)x +sin(2\theta)y)## I can form ##G =hb_1 +kb_2## and apply ##q =G## to give me the system of equations:

##\frac{2\pi}{1.5} cos(2\theta) = h\frac{2\pi}{a} + \frac{2\pi}{1.5}##

##\frac{2\pi}{1.5} sin(2\theta) = \frac{2\pi}{a} \frac{1}{\sqrt{3}}(2k-h)##

But I can't seem to be able to use these equations to find a set of allowed ##2\theta## values. After this I'm not sure how to handle the intensities either.
 
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  • #2


Hello, thank you for your post. It seems like you are on the right track with your solution so far. Here are a few suggestions to help you continue:

1. In order to find the angles at which scattering can occur, you need to use the Bragg condition: ##2d_{hkl} sin(\theta) = \lambda##, where ##d_{hkl}## is the spacing between the lattice planes, and ##\lambda## is the wavelength of the incoming x-rays. In this case, the spacing between lattice planes can be expressed as ##d_{hkl} = \frac{a}{\sqrt{h^2 + k^2 + hk}}##, where ##a## is the lattice constant.

2. Using the Bragg condition, you can then solve for the allowed values of ##\theta##, which will give you the angles at which scattering can occur. Keep in mind that you will need to consider both the white atoms and the grey atoms in your calculations.

3. Once you have the allowed angles, you can then use the form factors of the white and grey atoms to determine the relative intensities of the scattered radiation. The ratio of the form factors will give you the relative intensity of the scattered radiation for each ##2\theta## value.

I hope this helps guide you in the right direction. Good luck with your calculations!
 

1. How do you determine the ##2\theta## values from a rotated crystal and intensity data?

The ##2\theta## values can be determined by using a technique called X-ray diffraction. This involves shining X-rays onto the crystal and measuring the angles at which the X-rays are diffracted. The ##2\theta## values can then be calculated using the Bragg equation.

2. What is the purpose of finding ##2\theta## values from a rotated crystal and intensity data?

The ##2\theta## values provide important information about the crystal structure, including the distance between atomic planes and the orientation of the crystal lattice. This information can be used to identify the crystal structure and to study its properties.

3. Can the ##2\theta## values be calculated from any crystal orientation?

No, the ##2\theta## values can only be calculated from a specific crystal orientation. This is because the diffraction pattern depends on the crystal lattice and the orientation of the lattice with respect to the incident X-rays.

4. How does the intensity data affect the calculation of ##2\theta## values?

The intensity data provides information about the intensity of the X-ray diffraction peaks. This can be used to confirm the accuracy of the calculated ##2\theta## values and to identify any errors in the data.

5. Are there any limitations to using ##2\theta## values to analyze crystal structures?

Yes, there are some limitations to using ##2\theta## values for crystal analysis. This method is most effective for single crystals or highly ordered polycrystalline samples. It may not be as accurate for more complex or disordered crystal structures.

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