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Determination of Crystal Structures

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...

X-ray Crystallography

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

$X-ray Diffraction of Biological Samples$ 01:10

X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
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Related Experiment Video

Updated: Apr 23, 2026

$X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects$

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Published on: June 8, 2016

Quantitative adsorbate structure determination for quasicrystals using x-ray standing waves.

R D Diehl¹, H I Li¹, S Y Su¹

¹Department of Physics, Penn State University, University Park, Pennsylvania 16802, USA.

Physical Review Letters

|September 20, 2014

Summary

This summary is machine-generated.

Determining the structure of adsorbed species on quasicrystal surfaces is now possible using the normal incidence standing x-ray wave field technique. This method successfully identified 6-atom silicon clusters on an aluminum-cobalt-nickel quasicrystal surface.

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Area of Science:

Materials Science
Surface Science
Crystallography

Background:

Quantitative structure determination of adsorbed species on quasicrystal surfaces presents significant challenges.
Existing methods often require extensive data and complex computations.

Purpose of the Study:

To present a simplified solution for determining the local structure of adsorbed species on quasicrystal surfaces.
To address conceptual difficulties in applying X-ray diffraction techniques to quasicrystals.

Main Methods:

Utilizing the normal incidence standing x-ray wave field (NISXW) technique.
Overcoming phase problem challenges in X-ray diffraction for quasicrystal applications.

Main Results:

Successfully determined the local structure of silicon atoms adsorbed on a decagonal Co-rich Al-Co-Ni quasicrystal.
Identified specific 6-atom clusters occupying particular hollow sites on the quasicrystal surface.

Conclusions:

The NISXW technique provides a straightforward approach to quasicrystal surface structure analysis.
This method overcomes previous limitations, enabling detailed structural insights into adsorbed species.