X-ray diffraction (XRD) is a versatile non-destructive analytical technique used to analyze physical properties such as phase composition, crystal structure and orientation of powder, solid and liquid samples. Many materials are made up of tiny crystallites. The chemical composition and structural type of these crystals is called their 'phase'. Materials can be single phase or multiphase mixtures and may contain crystalline and non-crystalline components. In an X-ray diffractometer, different crystalline phases give different diffraction patterns. Phase identification can be performed by comparing X-ray diffraction patterns obtained from unknown samples to patterns in reference databases. principles: X-Ray Diffraction is the result of constructive interference between X-rays and a crystalline sample. The wavelength of the X-rays used is of the same order of magnitude of the distance between the atoms in a crystalline lattice. This gives rise to a diffraction pattern that can be analysed in a number of ways, the most popular being applying the famous Bragg’s Law (nλ=2d sin θ) which is used in the measurement of crystals and their phases. Applictions: Many researchers, in industrial as well as in scientific laboratories, rely on X-ray diffraction (XRD) as a tool to develop new materials or to improve production efficiency. Innovations in X-ray diffraction closely follow the research on new materials, such as in semiconductor technologies or pharmaceutical investigations. Industrial research is directed toward the ever-increasing speed and efficiency of production processes. Fully automated X-ray diffraction analyses in mining and building materials production sites result in more cost-effective solutions for production control. The main uses of X-ray diffraction are: Qualitative and quantitative phase analysis of pure substances and mixtures. The most common method for phase analysis is often called 'X-ray powder diffraction' (XRPD).

1. X- RAY DIFFRACTION
SUBMITTED BY :
K.G. NITHYA LAKSHMI
&
K. VYTHEESWARI
M.Pharm
Pharmaceutical Analysis
RVS College of Pharmaceutical Science,
Sulur, Coimbatore.

2. CONTENT
 DEFINITION
 ORIGIN OF X-RAY
 BASIC ASPECT OF X-RAY
 X-RAY CRYSTOLLOGRPHY
 ROTATING CRYSTAL METHOD
 SINGLE CRYSTAL DIFFRACTION
 POWDER DIFFRACTION
 STRUCTURAL ELUCIDATION
 APPLICATION
 REFERANCE

3. DEFINITION
 X-RAY - Form of electromagnetic radiation, similar to visible light. Its
has high energy and pass through the object. In medical x-ray to
generate image of tissues & structures inside the body.
 DIFFRACTION – Spreading of waves around obstacles. It takes place
with sound & electromagnetic radiation such as x-ray, gamma rays and
with very small moving particlws such s atoms, neutrons and electrons.
nƛ=2dsinƟ

4. X-RAY DIFFRACTION METHOD
 X-ray diffraction is a non-destructive solid technique for delineating
crystalline materials.
 It gives information on phases, structures, favored crystal
orientations (texture), and different structural parameters, such as
strain, crystallinity, medium grain size, and cry
 x-Ray diffraction (XRD), or x-ray powder diffraction, utilizes x-ray
radiation on crystalline organic and inorganic samples stal cracks.

5. PRINCIPLE
 The fundamental principle of X-ray diffraction is the constructive
interference of monochromatic X-rays with a crystalline sample.
 A cathode ray tube generates these X-rays, which are then filtered
to produce monochromatic radiation, collimated to concentrate, and
directed toward the sample.
 XRD is a high-precision non-destructive technique that provides
important information about the structural characteristics of the
materials by enabling chemical composition identification.
 It provides various information on the crystal structure, phase,
crystal orientation, etc of the materials.

6. ORIGIN OF X-RAYS

7. BASIC ASPECTS
 Crystal is a solid material, atoms are arranged in a define pattern.

8. X-RAY CRYSTALLOGRAM
 Crystallography is the experimental science of arrangement of atom
in solid.
 Crystallography is a Greek word
 Crystallon – cold drop ( Extending all solids with some degree of
transparency) and graphy – write.

9. Crystal structure =lattice + basis
Lattice:
A pattern or structure made of strips or other material which cross each
other diagonally learing holes in between. May be 1,2 or 3 dimention.
Example:
Basis:
The arrangement of atoms associate with each lattice point.

10. Bragg’s Law
 Bragg’s law is introduced by Sir W.H.Bragg and his son Sir
W.L.Bragg.
 The law correlates the x-ray, wavelength ƛ, distance d and
diffraction angle Ɵ.
 According to the law, X-ray is incident on to a crystal surface, its
angle of incidence will reflect back with a same angle of scattering.
nƛ=2dsinƟ

11.  Diffraction will here occur, if Bragg’s equation is not satisfied in case of
infinitely large no. of lattice planes.If some derivations which occurs
during the diffraction with the case of finite no. of lattice planes.
nƛ = CB + C’B’
CB = C’B’ = I
nƛ = I + I =2I
Were, I = dsinƟ
nƛ = 2dsinƟ

12. ROTATING CRYSTAL
TECHNIQUE
 The rotating method is most common method to determine steady
state crystal structural.
 By recording the diffraction pattern for various crystal orientation,
one can determine the shape and size of unit cell as well as
arrangement of atoms inside the cell.

13. Photograph can be taken by
Complete rotation method :
In this method series of complete revolutions occurs. Each set
of a plans in a crystal diffracts four times during rotation.
Four diffracted beams are distributed into a rectangular pattern in
the central point of photograph.
Oscillation method:
The crystal is oscillated at an angle 15° or 20°.Th photographic
plate is also moved back and forth with the crystal.
The position of the spot on the plate indicates the orientation of the
crystal at which the spot was formed.

14. SINGLE CRYSTAL
DIFFRACTION
X-ray diffraction is a non- destructive analytical technique which
provides detailed information about the internal lattice of crystallline
substance, including unit cell dimensions, bond length, bond –angles and
details of sites- ordering.

15. POWDER DIFFRACTION
X-ray powder diffraction (XRD) is a rapid analytical technique
primarily used for phase identification of a crystalline material and can
provide information on unit cell dimension. In powder diffraction, the
diffraction pattern is obtained from a powder of the material. Powder
diffraction is often easier and more convenient than single crystal
diffraction as about 1mg of material is sufficient for the study.

16. STRUCTURAL ELUCIDATION
 The following are common methods determining the chemical
structure(structure elucidation)
1. X-ray diffraction – crystal are available
Example of a crystallographic structure elucidation: The
process flow where one single crystal (left) is exposed to X-rays,
diffraction intensity data are collected (middle), and structure is
determined (right) after analysis of the diffraction data.

17. APPLICATION
 Determination between crystalline and amorphous material.
 Determination of the orientation of single crystal.
 Determination of the texture of poly grained material.
 Measurement of strain and small grain size.
 Determination of crystallite size and shape.
 Particle size determination – Spot counting methods.
 Crystallographic structural analysis and unit cell calculation for
crystalline material.
 Identification of multiple phase in microcrystalline mixtures (rocks).
 To identification crystalline phase.
 To image and characterize defects.

18. REFERANCE
1. X-Ray Diffraction -XRD is the principal technique used to
investigate crystal structures in composite materials in a
nondestructive way: as known, different crystal phases can lead to
different material properties. From: Nanofiber Composites for
Biomedical Applications, 2017.
2. X-ray diffraction Physics lso known as: X-ray diffraction analysis
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