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Questions tagged [x-ray-diffraction]

X-ray diffraction is a method to obtain the crystal structure of a compound. This tag is also appropriate for x-ray powder diffraction.

X-ray diffraction is a method to obtain the of a compound. It is generally applied to a single crystal to obtain the positions of the nuclei. It is a reliable tool to generate 3D structures of compounds, hence it is possible to measure interatomic distances.

Due to the close relationship, this tag is also appropriate for x-ray powder diffraction.

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Angular dependence of x-ray and neutron scattering factors

Why are neutron scattering factors essentially independent of $2\theta$, whereas X-ray scattering factors drop off with increasing $2\theta$ ?
J. LS
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Single crystal x-ray diffraction experiment backwards: from CIF to genuine set of raw data without performing actual experiment

Single crystal x-ray diffraction stands among the most complex yet trustworthy analytical techniques when it comes to structure determination of solids. But how hard it would be to simulate(fake) the entire raw dataset, including all reflections,…
andselisk
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Integrating structural information to carry out Rietveld refinement

I have just started using Xpert highscore for analyzing my XRD raw data. I have access to PDF2 database(Powder diffraction file) using my university license. I have also just started using reitveld analysis for quantification analysis of my matched…
wulf
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Find atomic radius from angle, wavelength, (311) plane and FCC structure

I've worked this problem and seem to be off by a factor of $2$ somehow. From Callister, 6th edition, problem 3.56W (but I don't have access to the "W" web material that actually explains Bragg diffraction). Using other texts, I found that plane…
RobertTheTutor
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Obtaining atomic form factor from electron density?

I know that atomic form factors for x-ray scattering are obtained by Fourier transform of the electronic charge density. I am looking for a citable elementary source (book, review, article) which covers the systematic and explicit derivation of the…
R.U.
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Why are powder XRD axes sometimes plotted in reverse?

Just plotting some powder XRD data and I wanted to know why the axes in some of the literature that I'm looking at is plotted in reverse. Is there a reason it starts at 60 Degrees (2 theta) and then goes down toward zero?
user11585
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Does the probability of fluorescence increase when energy of incident X-rays match the electron's binding energy?

When analyzing manganese-rich samples with X-ray powder diffraction, sample fluorescence becomes a significant effect. Is this because the incident X-rays' energy - which, if Cu K$\alpha_1$, is approximately 8.048 keV - is getting close to the…
Yoda
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Am I visualizing/understanding atomic form factor correctly?

I'm having difficulty visualizing the concept of atomic form factor or atomic scattering factor as it has been presented in a chemistry course on X-ray crystallography that I'm taking. At the moment, I visualize it as such: (Please note that the…
vinyl_chloride
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How will the X ray diffraction pattern change if the crystal changes its lattice structure

(I asked this question on another community without getting much help there,I hence post it here as it may be more of a chemistry question. I apologize if my question has an obvious answer, I'm only a beginner) A text says: An X - ray diffraction…
Kashmiri
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XRD Peaks in databases

I had a look at the JCPDS card of BiOCl and saw that there were very small peaks (such as 0.1 percent relative intensity) that I think wouldn't be observed in XRD pattern, they would just blend in with the noise, so I'd like to know how do they…
Aleksejus Pacalovas
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