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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...

Crystal Growth: Principles of Crystallization

Crystal Growth: Principles of Crystallization

Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
Initiating crystallization involves manipulating the concentration of the solute and the temperature of the solution. Since crystal growth occurs when the ratio of concentration and solubility of the solute in the solvent – the...

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...

Crystallographic Point Groups

Crystallographic Point Groups

Crystallographic point groups represent the various symmetry operations that can occur within crystals. They are unique in that at least one point will always remain unchanged during these actions. For instance, consider the triclinic system. This system, devoid of any axis or plane of symmetry, aligns with the C1 and Ci point groups.where Cᵢ is characterized solely by a center of inversion.Contrastingly, the monoclinic system introduces an element of symmetry. This system with one plane and...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

Ionic Crystal Structures

Ionic Crystal Structures

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.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...

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Related Experiment Video

Updated: Jul 8, 2026

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble

Published on: June 5, 2021

Crystallographic publishing in the electronic age.

P R Strickland¹, B McMahon

¹International Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England.

Acta Crystallographica. Section A, Foundations of Crystallography

|December 25, 2007

Summary

This summary is machine-generated.

The International Union of Crystallography journals evolved with scientific advancements, using data formats and internet technologies to enhance peer review and disseminate research effectively.

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Area of Science:

Crystallography
Scientific Publishing
Information Technology

Background:

Journals of the International Union of Crystallography (IUCr) have expanded significantly over 60 years.
Editorial policy prioritizes high publication quality, adapting to scientific practice and technique evolution.

Purpose of the Study:

To describe the evolution of IUCr journals in response to scientific and technological changes.
To highlight the role of data formats and internet technologies in enhancing publication quality and services.

Main Methods:

Development of standard exchange and archive formats for crystallographic data.
Implementation of automated analyses of structural data for peer review.
Leveraging internet technologies to provide services to authors, editors, and readers.

Main Results:

Automated data analyses assist scientific editors in critical peer review.
Internet technologies have enabled journal flourishing and diverse services.
Integration of literature and structural data is a key development.

Conclusions:

New technologies present economic and cultural challenges, alongside opportunities for research dissemination.
IUCr journals are adapting to these challenges and opportunities innovatively.