X-ray crystallography encompasses the structural characterization of crystalline materials by means of X-rays. This is done most commonly by X-ray diffraction, which can be applied to monocrystalline materials or heterostructures, as well as to polycrystalline materials, where the later is referred ...

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Software to calculate and visualize reciprocal lattice

I am currently preparing XRD experiments for an epitaxial thin film on a silicon wafer. I am looking for software (Win oder Mac) to calculate the reciprocal lattice from the cell parameters and ...
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185 views

Bragg diffraction and lattice planes

Crystalline substances show, for certain sharply defined wavelength and incident directions, very sharp peaks of scattered X-ray radiation. From the illustration below we see that we get constructive ...
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167 views

Compute distance between planes in a crystal

I want to compute the distance between two (111) planes in a cubic crystalline structure, in order to do some computations involving Bragg reflection. I have a sketch of which the (111) planes are, ...
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57 views

Are the 14 Bravais lattices really distinct?

I have learned that there are 14 distinct Bravais lattices in 3D and any other thought lattice form could be reduced to or expressed in one of these 14 forms. But the primitive unit cell for f.c.c ...
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44 views

How many atoms does one need to get reliable crystal information with X ray or electron diffraction?

I know that, in theoretical derivations of X ray diffraction (XRD) or electron diffraction (ED), we always assume an infinite lattice, and, as you make the crystal smaller, edge effects start to ...
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30 views

Why Nitrides have internal polarization?

Why GaN has internal polarization? I know that in wurtzite crystal structure, the atomistic bonds are not equivalent and as a result there appears a net dipole and consequently a polarization. But ...
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128 views

Structure factor of crystals (X-ray crystallography)

How can one prove that the degree of each node in a distance graph must be at least four in order to obtain a unique solution to an exact distance geometry problem with sparse distance data? The ...
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20 views

Understanding Braggs x-ray diffraction and why light is treated as a single “ray/line”

I'm not familiar with optics. So my knowledge of treating light as single lines is almost completely foreign to me. Although I do know something about EM waves and Maxwells equations, so you can ...
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49 views

Why can the twin plane be uncoincide with the composition plane in reflection twin?

In the book Elements of X-Ray Diffraction, p67, I found the following sentence: In the case of a reflection twin, the composition plane may or may not coincide with the twin plane. But I think ...
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Is it more difficult to create higher energy photons, given there is excess available energy?

Im not talking about pair production, I mean a single photon created from an energy transition between two electron shells. I'm studying K(alpha) and K(beta) fluorescence transitions in metals, and ...
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Pseudocubic unit cells: how to construct one?

I keep coming across the term pseudocubic unit cell while reading about orthorhombic perovskite structures. No clear explanation ...
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Four dimensional Bravais lattice

I am wondering if there are any reference on four dimensional Bravais lattice and their primitive vectors, even an example will help.
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How to identify a crystal structure by its x-ray reflection bragg angles?

How to identify a crystal structure by its x-ray reflection bragg angles? Suppose we have a crystal sample to examine its crystal structure (e.g. SC, BCC, FCC, etc). What we can get from an X-ray ...
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X-ray diffraction analyisis: The angle of elastic x-ray scattering

What is the scattering angle distribution for x-rays (in the 8keV range) scattered elastically? I work with XRD analysis, which is fundamentally basede on these elastic scatterings of x-rays. I read ...
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The reciprocal lattice of HCP lattice

There is a very similar question here Reciprocal Lattice of a non-bravais lattice, but I don't fully understand the answer, and the question is now obsolete so I feel that I should ask it again. How ...
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How do I use MAUD for phase quantification of XRD data with AMCSD standards?

I'm a biologist with some raw powder XRD data of biominerals, need to quantify different phases, can't access commercial software or databases at the moment. Does anyone have experience with using ...
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Reciprocal space maps units

I have seen reciprocal space maps in different units. In some figures, it is represented in delta(l) delta(h) reciprocal space maps units. In some figures it is shown in Q(parallel) and Q(normal) ...
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Why does inelastic X-ray scattering probe the longitudinal dielectric function as opposed to the transverse dielectric function?

Light is a transverse wave. Therefore, light in the optical range (i.e. visible light) couples to transverse collective excitations of a material when measuring the optical conductivity for instance. ...
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XRD and Superconducting Volume Phase

I have prepared H-Tc Superconductors polycrystalline samples. In the XRD pattern there is not extra peaks and we can say the sample is pure, without impurities. But SQUID shows that only 60% is ...
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How are lattice parameters determined from reciprocal space maps?

It seems that the papers speak of reciprocal space maps with very high praise because of its ability to study strain in epitaxial films and determine the amount of relaxation. Also one can determine ...
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How to determine film thickness in a multilayer sample

What is the mathematical derivation or formula to determine thickness of each film in a multilayer sample with the help of X-Ray Reflectivity technique?
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How to estimate the lattice parameter from a Debye-Scherrer diffractogram

The question is: In a Debye-Scherrer diffractogram, centers of maximum intensity were noted at the following angles with respect to the straight through position (all these angles are in degrees): ...
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Does the EXAFS oscillations occur when ultrashort x-ray pulse is used? Electron with a 50eV kinetic energy will travel in 0.1fs 4.2 Angstroms

In X-ray extended absorption spectroscopy (EXAF) an electron is excited by an x-ray photon into the continuum, the outgoing electron wave interferes with the scattered electron wave from the ...
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The correspondence between real space and reciprocal space

From what I've learned, a point $P=(h\ k\ l)^T$ in the real space can be expressed as a linear combination of the primitive vectors $$A\left(\array{n_1\\n_2\\n_3}\right)=P$$ Where $A=(a_1a_2a_3)$ is ...
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Crystallography and symmetry operations

I am trying to figure out the basis for deuterate solid state water. To do so I took the position of the basis atoms from http://rruff.geo.arizona.edu/AMS/amcsd.php and then I applied the symmetry ...
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How to calculate lattice parameter of wurtzite struture

I am trying to calculate lattice parameter of ZnO (wurtzite). I have found out the formula for calculating lattice parameter of this system from a research article. $\frac{1}{^{d^{2}}}=\frac{H ^{2}+ ...