How to Calculate X-ray Diffraction Peak Positions for Hydrated Siderite?

In summary, the conversation discusses using Bragg's Law to calculate peak positions for a D2 diffractometer with a Co tube. The material being studied is FeCO3.H20 and the wavelength is 1.79026. The speaker mentions the need to calculate d using Miller indices and a value of 6.65 angstroms. However, they do not have access to the Powder Diffraction File and are unsure if the lack of a monochromator will affect the calculations. They apologize for not having more information but hope their explanation helps.
  • #1
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Homework Statement
Predict the positions of the peaks on the XRD pattern if it were collected instead using a D2 diffractometer equipped with a Co tube and no monochromator.
Relevant Equations
Bragg's Law: wavelength = 2*d*sin(theta)
Cubic material: 1/d^2 = (h^2 * k^2 * l^2)/a^2
(Have attached pictures of these)
Hi, I know the material being studied is FeCO3.H20 (hydrated siderite) and the wavelength for a D2 diffractometer with a Co tube is 1.79026.

In order to use Bragg's Law to calculate the peak positions, I think I need to first calculate d using the equation with the Miller indices and a which is 6.65 angstroms. Then I would rearrange Bragg's Law for theta and solve this to find the peak positions.

However, I don't know what numbers the Miller Indices would be as I don't have access to the Powder Diffraction File. I also don't know if the fact that it has no monochromator would change any of the calculations as I would have to account for Kalpha and Kbeta.
 
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  • #2
I'm sorry I don't have more information to give an exact answer, but hopefully this will help you figure out the equations that you need to use.
 

FAQ: How to Calculate X-ray Diffraction Peak Positions for Hydrated Siderite?

1. What is X-ray diffraction and how does it work?

X-ray diffraction is a technique used to study the structure of materials at the atomic level. It involves shining a beam of X-rays onto a sample and observing the pattern of diffracted X-rays that are produced. The pattern is determined by the arrangement of atoms in the sample, allowing scientists to analyze and understand the crystal structure of the material.

2. What is Bragg's Law and how is it related to X-ray diffraction?

Bragg's Law is a mathematical equation that describes the relationship between the angle of incidence of X-rays, the distance between atomic layers in a crystal, and the wavelength of the X-rays. It is used to determine the atomic spacing in a crystal based on the diffraction pattern produced by X-rays, making it an essential part of X-ray diffraction analysis.

3. What are the applications of X-ray diffraction?

X-ray diffraction has a wide range of applications in various fields such as materials science, chemistry, biology, and geology. It is used to study the crystal structure of materials, determine the composition of unknown substances, and analyze the molecular structure of proteins and other biomolecules. It is also used in the development and quality control of pharmaceuticals and in the study of geological formations.

4. What are the key components of an X-ray diffraction experiment?

The key components of an X-ray diffraction experiment include an X-ray source, a sample holder, a detector, and a computer for data analysis. The X-ray source produces a beam of X-rays, which is directed at the sample held in the sample holder. The detector captures the diffracted X-rays and the data is analyzed using specialized software to determine the crystal structure of the sample.

5. What are the limitations of X-ray diffraction?

X-ray diffraction has some limitations, such as the requirement for a crystalline sample, which means it cannot be used to study non-crystalline materials. It also has a lower resolution compared to other imaging techniques such as electron microscopy. Additionally, X-ray diffraction cannot provide information about the arrangement of atoms in the third dimension, as it only produces a two-dimensional diffraction pattern.

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