In this slide contains Introduction about XRD and there interpretation. Presented by: Mohumed omar Mahmoud. (Department of pharmaceutics). RIPER, anantapur.

1. RIPER
AUTONOMOUS
NAAC &
NBA (UG)
SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 1
A seminar as a part of curricular requirement
for I year M.Pharm I semester
Presented by
Mohamed Omar Mahmoud
(Reg.No. 20L81S0310)
Under the guidance
Dr. Nawaz Mohamed
M.Pharm,Ph.D
Associate Professor
Dept.of pharmaceutics
XRD Interpretation

2. RIPER
AUTONOMOUS
NAAC &
NBA (UG)
SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 2
• Introduction
• XRD
• XRD interpretation
• References
Contents

3. RIPER
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NAAC &
NBA (UG)
SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 3
Introduction

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Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 4
• 1895 X.rays discovered by Roentgen
• 1914 First diffraction pattern of a crystal made by knippingand
• 1915 Theory to determine crystal structure from diffraction
developed by Bragg.
• 1953 DNA structure solved by Watson and Crick
• Now Diffraction improved by computer
History

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• X-Ray Diffraction (XRD) is a laboratory-based technique
commonly used for identification of crystalline materials and
analysis of unit cell dimensions. ...
• X-ray powder diffraction can also be applied to the
identification of fine-grained minerals
Definition

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•
X-ray diffraction analysis (XRD) is a technique used in
materials science to determine the crystallographic structure of
a material. XRD works by irradiating a material with incident X-
rays and then measuring the intensities and scattering angles
of the X-rays that leave the material [1]
Principle

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Basic components of XRD
X-ray tube
sample holder
X-ray detector

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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 dimensions.
The analyzed material is finely ground, homogenized, and average
bulk composition is determi
XRD X-Ray Diffraction

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K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 9
• Sir William Henry Bragg:
• William Henry and William Lawrence Bragg
• (father and son) found a simple interpretation
• of von Laue’s experiment.
• They assume that each crystal plane reflects radiation as a mirror
and analyze this situation for cases of constructive and destructive
interference.
Bragg’s law
nλ = 2d sinθ

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• Path difference Δ= 2x => phase shift
• Constructive interference if Δ=nλ
• This gives the criterion for constructive interference
Derivation of Bragg’s law
θ
θ
θ
x
)
sin(
)
sin(


hkl
hkl
d
x
d
x




 n
dhkl 


 )
sin(
2
Bragg’s law tells you at which angle θB to expect maximum
diffracted intensity for a particular family of crystal planes.
For large crystals, all other angles give zero intensity.

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• Crystal .atoms are arrangwd in a periodic pattern of three
dimensions. Not all solids are crystalline
• However .some solid are do not possesses any regular interior
arrangement of atoms called Amorphous such as glass
XRD Interpretation

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K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 13
Peak position
The diffraction peak position is recorded as the detector angle, 2θ.
The position of the diffraction peaks are determined by the distance
between parallel planes of atoms. from X-rays scattered by parallel planes of
atoms will produce a diffraction peak.
Peak width
peak width tells about crystallite size and lattice strain
Peak Intensity
Peak intensity tells about the position of atoms within a lattice structure.
and
Significance of peak shape in XRD

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16. RIPER
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20. RIPER
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K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 20

21. RIPER
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SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 21

22. RIPER
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NAAC &
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SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 22

23. RIPER
AUTONOMOUS
NAAC &
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SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 23

24. RIPER
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NAAC &
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SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 24

25. RIPER
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SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 25

26. RIPER
AUTONOMOUS
NAAC &
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SIRO- DSIR
Raghavendra Institute of Pharmaceutical Education and Research - Autonomous
K.R.Palli Cross, Chiyyedu, Anantapuramu, A. P- 515721 26
• Sharma Y. Elementary organic spectroscopy: principles and chemical
application. Chand and Company Ltd, New Delhi, India. 2009:23.
• Fifield FW, Kealey D. Principles and practice of analytical chemistry:
Blackwell Science Hoboken: 2000.
References

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