What is Crystallography?

What is Crystallography?
By Reginald Davey
Reviewed by Sophia Coveney

Scientists have several sophisticated analytical techniques at their disposal to

elucidate the physical structure and properties of substances. A technology
commonly employed by analytical scientists is crystallography, of which there
are many variations. This article will discuss this subject.

crystallographyImage Credit: Gregory A. Pozhvanov/Shutterstock.com

Crystallography – An Overview
Crystallography is the term applied to the field which studies crystalline
structures. Many crystalline structures exist in nature, such as gemstones and
rocks. In the field of life sciences, however, crystallography is primarily used to
study proteins and other important biological molecules which do not crystallize
naturally.

Before the advent of crystallography, the study of crystals was based upon
physical measurements of their geometry to establish their symmetry. The field
originated with the discovery of X-Rays in 1895. In the early 20th century,
pioneering work was carried out by H. and W.L Bragg, who demonstrated the
relationship between crystalline structure and X-ray diffraction patterns. This
formula is known as Bragg’s law.

The field of crystallography has revolutionized our understanding of the

structure of minerals, proteins, DNA, viruses, and pharmaceutical materials, to
name but a few examples. Over the course of the past century, the field has
evolved, with many crystallographic techniques developed.

Principles and Theory

Crystallography methods analyze diffraction patterns of a substance caused by
shining a beam of radiation at it. Electromagnetic radiation such as X-rays are
the most common, but neutrons and electrons are also used. The three types of
beams – X-ray, electron, or neutron – interact with the substance in different

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ways. Each is suited to different studies.

The diffraction patterns created by X-rays are due to interaction with valance
electrons and their spatial distribution. Electron beams detect the charge
distribution in atomic nuclei and their surrounding electrons. Neutron beams
undergo scattering by forces such as strong nuclear forces and magnetic fields.

Crystallography is used to study atomic

structures because optical microscopy is
unsuitable for this purpose. This is X-Ray Crystallography in
because visible light’s wavelength is Pharmaceutical Drug
Development
several magnitudes larger than the length
of atomic bonds and atoms. The shorter
wavelength of electromagnetic radiation
is, therefore, more suited to the analysis of structures at this scale.

A key difference between crystallography and optical techniques is that the

beam cannot be focused to produce images as such. Rather, the structure is
reconstructed from the diffraction pattern using a variety of techniques
including software.

In the diffraction pattern produced by crystallographic techniques, sharp

features are caused by photons reflected by the atoms in the structure,
whereas diffuse and weak features are caused by non-periodic components.
Due to the repetitive and ordered nature of crystal lattices, diffraction patterns
created by crystallographic methods are ideal for providing information on the
structure of solid materials.

Technique
As has been mentioned, the three types of diffusion techniques used in
crystallography are X-rays, neutrons, and electrons. Many other analytical
techniques are also employed in crystallographic studies, such as X-ray
fluorescence, spectroscopic techniques, and computer visualization and
modeling.

First, a stable crystal must be created. As many biological molecules do not

occur naturally as crystals, crystallographers employ a variety of techniques.
Some substances crystallize more easily than others.

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To form the crystal, the molecule is held in a solution, and along with a buffer
and precipitants is sealed within a reservoir. This reservoir contains a
hygroscopic solution, Crystallization is achieved by the steady precipitation of
the solution containing the molecule into the reservoir. The process is a slow
one – if it is too fast, a proper crystal cannot be formed.

Once a stable crystal has been formed, it is introduced to the crystallographic

equipment. Then, a beam is directed at it. Synchrotrons are the most common
source for the beam due to the purity of emitted radiation. They also produce
the most complete diffraction patterns. Other sources exist, but synchrotrons
remain the standard

To analyze the produced diffraction patterns, incredibly complex mathematics

are used. Two generated pattern is compared to a pattern which has been
predicted mathematically. The process goes through several refinements before
the true pattern of the crystal is determined. Modern software has greatly
reduced the need for revisions. Without software, the process of elucidating the
crystals form can be incredibly laborious and time-consuming.

Whilst less ordered, patterns can be formed by powders and fibers. The
diffraction pattern created by these types of substance can still provide useful
information due to an inherent degree of order. One example of this is the
discovery of the structure of DNA, where the diffraction pattern which revealed
its double-helical structure was obtained from a fiber sample.

In Conclusion
Crystallography is a robust analytical technique that has been used in a variety
of fields such as life sciences, geology, and materials science. It has been used
to reveal the structure of viruses, proteins, nucleic acids, gemstones, and
industrially important substances. It remains one of the gold standards of
analytical chemistry.

References:
BCA Education (Website) History of Crystallography [Accessed online 13th
July 2021] https://learn.crystallography.org.uk/learn-crystallography/h
istory

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New World Encyclopedia (Website) Crystallography [Accessed online 13th

July 2021] https://www.newworldencyclopedia.org/entry/Crystallography
Chemeurope (Website) Crystallography [Accessed online 13th July 2021]
https://www.chemeurope.com/en/encyclopedia/Crystallography.html

Further Reading
All Crystallography Content

Protein Crystallization

Protein Structure Determination

Microseeding Explained

Protein Crystallization Screening

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Last Updated: Oct 4, 2021

Written by

Reginald Davey
Reg Davey is a freelance copywriter and editor based in Nottingham in the United
Kingdom. Writing for AZoNetwork represents the coming together of various interests
and fields he has been interested and involved in over the years, including
Microbiology, Biomedical Sciences, and Environmental Science.

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