Applied Chemistry

Module-4: Spectroscopic and diffraction techniques

Syllabus: Fundamental concepts in spectroscopic and diffraction techniques

– Principle, instrumentation, and applications of UV-Visible and powder XRD
determination of crystallite size. Numericals

1
 Introduction to Electromagnetic Radiation

Contents
• Definition of Spectroscopy
• Electromagnetic Radiation
• Properties of EMR
• Interaction of EMR with Matter
• Regions of EMR, Molecular Effects and its applications
• Principle and Classification of spectroscopy
• Numerical Problems
• Spectroscopic Instruments in Space Exploration Missions

2
 Spectroscopy
What is spectroscopy?
• The interaction of electromagnetic radiant energy with matter is called spectroscopy.
• Quantitative and qualitative analysis of inorganic, organic, and biological compounds.
• Spectroscopic data represents response as a function of wavelength/frequency.
Spectrum Optics

• Sir Isaac Newton introduced word spectrum in 1672 to describe rainbow of colors.
• Fraunhofer made significant contributions to optics and spectroscopy in 1814.
• Kirchhoff and Bunsen demonstrated spectroscopy's utility in chemical analysis in 1859.
• Spectroscopy has significantly advanced in the fields of chemistry, physics, and astronomy since
its discovery. 3
 Electromagnetic Radiation
• Energy is defined as the capacity to do work.
• Energy Transfer Methods
• Conduction refers to the transfer of heat from one
substance to another through direct contact.
• Convection refers to the transfer of heat through a fluid
due to molecular motion.
• Radiation refers to the energy transmitted through
rays, waves, or particles.

• The dual nature of radiation was proposed by de Broglie in 1923,

• EMR behaves as a wave in space and as a particle in matter
interaction.
• The wave nature is measured in terms of frequency, wave-
length, and velocity.
• The particle nature is expressed in individual photons, which are
discrete energy packets. 4
 Properties of EMR
• Wave length (λ) refers to the distance between the adjacent
crests or troughs of a wave ( cm).
• The frequency (v) is the number of oscillations per unit time,
denoted by hertz (Hz).
• The wavenumber (ν) refers to the number of waves per unit
distance (cm-1).
• Velocity (c) is the speed of propagation in vacuum, c=2.9979x108
m.s-1.
• The energy carried by an EMR or photon is directly proportional
to its frequency, as E=hv=hc/λ.
• Wave is the way of transferring an energy from one place to
another.
• Photons are discrete packets of energy or quanta.
 Interaction of EMR with Matter
• Absorption: EMR interacts with matter, causing
molecules and atoms to absorb energy and reach a
higher energy state.
• Emission: It occurs when a substance emits
electromagnetic radiation.
• Transmission: The process by which incident radiation
passes through matter without measurable attenuation.
• Reflection: Measures the amount of energy reflected by
matter.
• Scattering: EMR scattering occurs when radiation
interacts with matter, causing the energy to be • Wave nature explains reflection,
reradiated in different directions, not along the path of refraction, diffraction.
the radiation. • Light absorption and emission due
to particle nature in individual
• Refraction : Refers to the deflection or bending of EM
photons.
waves as they pass from one transparent medium to
another.
These processes form the basis for detection or spectroscopic measurement techniques6
 Regions of EMR, Molecular Effects and Applications
Region/ units Molecular Wavelength Frequency (Hz) Energy (eV) Spectroscopy Applications
effects (0A)
Radio/ Nuclear spin >109 < 3x109 < 10-5 Molecular identity and structure.
MHz transitions

Microwave Rotational 109-106 3x109 - 3x1011 10-5 -0.01 Bond length of calculations.
GHz/THz/cm-1 motion

Infrared/ cm-1 Vibrational 106 - 7000 3x1011 -4.3x1014 0.01 -2 Functional group analysis.

Visible/nm Electronic 7000-4000 4 x1014 – 7.5x1014 2-3 Study of molecules with

transitions conjugated π and n systems.
Ultraviolet/nm Electronic 4000-10 7.5x1014 - 3x1016 3-103 Study of molecules with
transitions conjugated π and n systems.
X-rays/ KeV/eV Ionization 10-0.1 3x1016 - 3x1019 103 -105 gives information about the size
and shape of molecules.

Gamma ionisation <0.1 >3x1019 > 105 identify various radioactive

Rays/MeV isotopes

1eV = 96.48 kJ/mol

Contd.
 Contd.

Spectroscopy

Alpha Beta Protons Acoustic Seismic

Electromagnetic
particles particles waves waves
spectrum Neutrons

Neutron radiography Neutron-Induced

Neutron spectroscopy gamma spectroscopy

Radio Microwave Infrared UV-Visible AAS X-Ray Diffraction Gamma ray

 Principle and Classification of Spectroscopy
• Electromagnetic energy is transferred to atoms, ions or molecules in the sample results in a
transition to higher energy state.
• Energy required of photon to give this transition.

hν= ∆E = E1-E0

10
 Numerical Problems
1. What is the frequency of radiation with a wavelength of 5.00 x 10¯8 m? In what region of
the electromagnetic spectrum is this radiation?
• Use λν = c to determine the frequency:
• (5.00 x 10¯8 m) (ν) = 3.00 x 108 m/s = 6.00 x 1015 s¯1
• Frequency in Middle Ultraviolet Region

2. Calculate the wavelength of radiation emitted from radioactive cobalt with a frequency
of 2.80 x 1020 s¯1. What region of the eletromagnetic spectrum does this lie in?
• Use λν = c to determine the wavelength:
• λν = c
• λ (2.80 x 1020 s¯1) = 3.00 x 108 m.s-1
• λ = 1.07 x 10¯12 m
Gamma rays.

11
 Spectroscopic Instruments in Space Exploration Missions
• Exploration Rovers Launch
• Searching and analyzing rock and soils.
• Utilizing multiple spectrometers for sample analysis.
Mars Mission
• Mini-TES: miniature thermal emission
spectrometer (examine rock, soil & atmosphere)
• MB: Mossbauer Spectrometer (examine
mineralogy of rocks & soils)
• APXS: Alpha Particle X-ray Spectrometer (analyze
elements in rocks & soils)

Chandrayaan 3 mission
• Seismometer, Langmuir Probe
• Thermal Probe, Retroreflector
• X-ray Spectrometer. Laser-based Spectrometer
• Spectro-polarimeter
Principle, Instrumentation and Applications of UV-visible Spectroscopy

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 Contents
• UV Visible Light Absorption Region
• Absorption and Emission
• Electronic Transitions
• Terms and Shifts used in UV Spectroscopy
• Color-absorption relationship
• Principles of UV Spectroscopy-Absorption Law
• Instrumentation
• Applications
• Numerical Problems
• Summary
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 UV Visible Light Absorption Region
• The process involves the absorption of light from 200 nm-700 nm by molecules or atoms.
• UV and visible light is involved with electronic excitation.
• UV-Visible radiation has the potential to excite valence electrons in molecules or atoms.

• Near UV/UVA: Long-wave UV or black light, not absorbed by O3 layer

• Medium UV/UVB: medium-wave UV, mostly absorbed by O3 layer
• Far UV/UVC: short-wave UV, ionizing radiation, absorbed by O3 layer
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 Absorption and Emission
• Absorption and emission processes involve transitions between different energy levels.
• Incidence photon must equal energy difference between states; hν= ∆S = S1-S0.
• Energy absorption allows transition to excited state.
• The energy of molecular orbitals being specific to each group or chemical function.
• Absorption wavelength is thus correlated to the type of chemical bonds.

16
 Electronic transitions and Absorption Bands Intensity
• After excitation by EMR, valence electrons take part in electronic transitions.
• Four different transitions are allowed between σ, π and lone pair electrons.
1. Transition σ → σ*
• occurs only for simple bonds (C-H or C-C for example)
• Requires high energy and found in 100 nm-150 nm
2. Transition n → σ*
• occurs for atoms with lone pair electrons (N, O, S….)
• requires a high quantity of energy, and is thus found between
150 and 250 nm.
3. Transition n → π*
• Only occurs for atoms with lone pair electrons and unsaturated
functions. (250nm- 500 nm)
4. Transition π → π* (aromatics) • σ → σ*>n → σ*>π → π*>n → π*
• occurs only for atoms with unsaturated functions
• are located in the UV and visible domain (200 to 700 nm)
• Forbidden transition: ε ≤ 10
• Absorption bands intensity linked to electronic transition • Partly allowed transition: 10 ≤ ε ≤ 1000
• Allowed transition:1000 ≤ ε ≤ 100000
probability.
• Highly allowed transition:ε ≥ 100000
• Molar absorption coefficient valid for one wavelength. 17
 Terms involved in UV Spectroscopy
• A chromophore is any isolated covalently unsaturated bonded group that shows a
characteristic absorption of EMR in the UV or Visible region.
✓ Organic molecules containing >C=C<, >C=O, -N=N- and -NO2
✓ In Greek : Chroma = color, and phoros= bearer.
• An auxochrome is group of atoms attached to a chromophore which modifies the ability
of that chromophore to absorb light.
✓ Organic molecules containing:- COOH, -OH,-SO3H, -NR2 -NH2
✓ In Greek, Auxo= increase and chrome=color.
• Chromogen is the chromophore and auxochromo together.
 Shifts Involved in UV Spectroscopy
• Bathochromic Shift ( Red Shift)
o Shifts absorption maximum towards longer wavelength.
o Caused by auxochrome presence or solvent change.

• Hypsochromic Shift ( Blue Shift)

o Shifts absorption maximum towards shorter wavelength.
o Caused by removal of conjugation and solvent polarity.

• Hyperchromic shift
o Increases absorption maximum intensity.
o Auxochrome usually boosts absorption intensity.
o B-band shifts from 275 mμ to 262mμ.
o Emax for 2-methyl pyridine increases to 3560.

• Hypochromic Shift
o Decreases absorption maximum intensity.
o Caused by group distorting molecule geometry.
 Color-absorption Relationship
• Colored solution absorbs light corresponding to complementary color that is opposite color
in chromatic circle.
• Methylene blue absorbs 600-700 nm in orange-red, so that it looks blue for us
• Cong red absorbs maximum at 500 nm in green, so that it looks like red for us.
• Red and blue light are absorbed by chlorophyll and so it appears its complementary
color, green.
Methylene blue
Absorbance 0.75

Congo red
0.5

0.25

0
400 500 600 700 800
Wavelength (nm)
 Principles of UV Spectroscopy-Absorption Law
• Beer–Lambert law or Beer–Lambert–Bouguer law.
• The law combines discoveries made by Bouger, Lambert, and Beer ( 1729-1852)
• At a wavelength maximum, absorption is proportional to the concentration of absorbing
molecules and the path length of the light through the sample.
• A = εLC
• A = absorbance of the sample, log10 (I0 /I)
• I0 = intensity of the radiation entering the sample
• l = intensity of the radiation emerging from the
sample
• L = length of the light path through the sample, in
centimeters
• C = concentration of the sample, in moles/liter
• ε = molar absorptivity (Litre mol-1 cm-1 )
• It applies to all forms of electromagnetic radiation, not just visible light.
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 Instrumentation
• Arnold O. Beckman's created Spectrophotometry in 1940

• A "single-beam" spectrophotometer is
made up of:
• a polychromatic source
• a wavelength selector and eventually a
source selector
• a sample compartment
• a detector
• a screen and/or a computer.
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Instrumentation-Double-beam spectrophotometer

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 Applications
1. Quantitative analysis of analyte: Determination of the concentration of a compound
in solution using Beer’s law.
Determination of percent content of Vitamin A1 and Vitamin A2 in natural fats and oils by
measurement of intensities of peaks at λmax=325 nm and 351 nm respectively.
2. Distinction in conjugated and non-conjugated compounds: if an organic compound
does not show λmax above 200 nm cannot contain conjugated chromophore, aldehyde,
keto group, benzene ring.
3. Distinction between Cis and Trans geometrical isomerism: Trans isomer shows longer
absorption wavelength and Higher intensities than cis isomer.
4. Distinction between keto-enol tautomerism: Keto form shows low intensity band at
275 nm (ε=20) due to isolated keto-carbonyl group while enol shows high intensity
band at 245 nm (ε=1800) due to conjugated double bond.
5. Study of charge transfer complex: Charge transfer complexes are formed when a
electron rich molecules (teracynaoethylene iodine) is mixed with and electron acceptor
molecules ( aniline, benzene). The charge transfer complex is responsible for new –
absorption peaks. 24
 Numerical Problems
1. A sample has a maximum absorbance of 275 nm and molar absorptivity of 8400 M-
1cm-1. A spectrophotometer measures absorbance of 0.70 using a cuvette that is 1

cm wide. Find the solution concentration.

Use the equation A = εLc and and solve for concentration (c):
• c = A/εL
• c = (0.70) / (8400 M-1cm-1)(1 cm) = 8.33 x 10-5 mol/L = 8.33 x 10-5 M
2. Indicate the functional groups shown in the compound below whether they are
auxochrome or chromophore groups

3. What sort of electronic transitions are possible for each of the following compounds?
(a) cyclopetane (b) acetaldhyde (c) dimethyl ether (d) triethyl amine (e) cyclohexene
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Principle, Instrumentation and Applications of XRD

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 Contents
• X-rays and Energy.
• Continuous and Characteristics X–rays.
• Production of X-rays.
• Diffraction and Interference.
• Principles of X-ray Diffraction (XRD).
• Bragg’s Law.
• X-ray Diffractometer.
• X-ray Diffraction Pattern Analysis.
• Crystallite Size from XRD.
• Numerical problems.
• Applications, Advantages and Disadvantages.
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 X-rays and Energy
• It is basically energetic high-frequency EMR. • Discovered by W.C. Roentgen in 1895.
• Part of electromagnetic spectrum: • Nobel Prize in 1901.
o Wavelength: 0.01 -10 nm shorter than UV • X-radiation (X-rays) or Roentgen radiation.
and greater than gamma. • Types of X-rays: Hard X-rays (0.01 to 1 nm)
o Energy: 1keV-100 keV higher than UV and and Soft X-rays (0.1 to 10 nm).
lower than gamma. • Analytical purpose: 0.7 to 2 nm
o Frequency: 3x1016 Hz -3x1019 Hz.
• First example of ionizing radiation.

• Anna Bertha Ludwig, wife of Roentgen

• First human body radiographic image
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 Continuous and Characteristics X-rays
➢ Continuous (Bremsstrahlung, breaking radiation) X-rays
• Nucleus field interaction: Bremsstahlung
• Arises from electron deceleration.
• Electrons near nucleus slow down KE.
• Loss of KE compensated by X-ray emission.
• Polychromatic, continuous, or white radiation.
• Phenomenon was discovered by Nikola Tesla.
➢Characteristic X-rays
• Inner shell interaction produces characteristic radiation.
• Created when a hole in inner shell filled by higher energy
electron.
• K-shell electron knocked out fills vacancy by L-shell (Kα) or
M-shell (Kβ) electron.
• K-lines are most useful in X-ray diffraction.
. • Cu Kα is commonly used on lab scale x-ray instruments:
• Energy is 8.04 keV, corresponding to 1.5406 Å X-ray λ.
• Used for the crystal structure study in XRD.
• Discovered by Charles Glover Barkla in 1909. 29
 Production of X-rays
• Evacuated glass/metal bulb.
• Seals cathode and anode electrodes on each end of the tube.
o Cathode (-ve): Tungsten (W) ( Filament type).
o Anode ( +ve) : Cu/ Cr/Mo/W/ depending type of applications (disk type).
• Electrons are produced by the heated cathode via thermionic process to hit the anode.
• Accelerating potential is applied between the cathode and anode (25-150 kV).
• X-rays are produced when a fast moving stream of electrons is rapidly decelerated.
• Characteristics Kα, (Å) of different anodes: Cr(2.29), Fe (1.94), Co (1.79), Cu (1.54), Mo (0.71) and W (2.13).

• Tungsten features :
o High atomic number of 74.
o Efficient electron release.
o Good thermionic emitter.
o Manufactured as thin wires.
o High M.P. of 3422 0C.

Recent model Old model Crookes tube 30

 Diffraction and Interference
• Interference is the interaction of the two waves:
➢Reinforcing interaction = Constructive interference
➢Two waves are in phase, results in greater amplitude wave
❖Canceling interaction = Destructive interference
❖ Two waves are out of phase, cancel each other then no net motion remain

• Bending of light around the

corners of door and windows.
• Diffraction occurs when a light wave passes through a physical slit or corner that is
smaller than or equal to its wavelength. 31
What is diffraction?
• Diffraction refers to a phenomena when a wave encounters an
obstacle.
• In classical physics, the diffraction phenomenon is described as
the apparent bending of waves around small obstacles and the
spreading out of waves past small openings.
Interference of diffracted waves
• Interaction between diffracted waves is called interference.
• Constructive Interference: Waves are in-phase when each of their crests and troughs
occur exactly at the same time. Those type of waves stack together to produce a resultant
wave that has a higher amplitude. For constructive interference, path difference should
be multiples of n*λ.
• Destructive Interference: If the waves are out of phase by multiples of (n/2)*λ, then
destructive interference occurs and the amplitude of the resultant wave will be reduced.

path difference = multiple of n*λ path difference = multiple of (n/2)*λ

 Principles of X-ray Diffraction (XRD)
➢ Microstructure of solid materials
• Crystalline: Entire solid is made of up atoms in an orderly
array.
• Polycrystalline: Completely ordered in segments.
• Amorphous: No recognizable long range order.
• “Every crystalline substance gives a pattern; the same
substance always gives the same pattern; and in a mixture
of substances each produces it’s independently of others”.
• The XRD pattern of pure substances resembles a
fingerprint of the substance.
• It is based on the scattering of X –rays by crystals.
• The atomic planes of crystal cause an incident beam of X-
rays to interfere with one another as they leave the crystal
is described by the famous law called Braggs law.
• Chemical formula of SiO2
• Crystal structures vary.
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 Bragg’s Law
• The atomic planes of a crystal cause an incident
beam of X-rays to interfere with one another as they
leave the crystal is called X-ray diffraction.
• Two parallel rays create angle ϴ with crystal planes.
• When the total path difference is 2dsin θ equals to nλ,
diffraction occurs:
▪ Path difference (δ)=CB+ BD
▪ For Δ ACB; Sin θ= CB/AB= CB/d= CB=dSin θ
▪ Similarly, Δ ADB; Sin θ= BD/AB= BD/d= BD= dSin θ
▪ So, dSin θ + dSin θ= 2dSin θ
▪ Bragg’s law: δ = 2dSin θ= nλ
Where
δ : Path difference between the reflected x-ray waves.
λ : Incident X-ray wavelength.
n= an integer ( 1,2,3…). Nobel Prizes in Physics:
• Max von Laue: 1914 Nobel Prize for X-ray
d= distance between lattice planes. diffraction discovery.
Θ: angle between the indent X-ray and the lattice. • W.H. Bragg and W.L. Bragg: 1915 Nobel prizes for
X-ray crystal structure analysis.
02-12-2025 34
 1

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a

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v
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c
1111
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1111 1111
11 1111
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X-ray
tube
Detector
  
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Principle and applications of X-Ray Diffraction (XRD) technique
• Principle: XRD is a technique used 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.
• XRD is a versatile, non-destructive characterization technique widely used in materials science and
engineering for identifying unknown crystalline materials.
• XRD is used to study the structure and function of many biological molecules, including vitamins,
drugs, proteins and nucleic acids such as DNA.
• XRD is also used to determine structural properties (lattice parameters, strain, grain size, epitaxy,
phase composition, orientation, atomic arrangement) and to measure film thickness.
• XRD also yields information on how the actual structure deviates from the ideal one, owing to
internal stresses and defects.

How XRD pattern is produced? Bragg model of diffraction

• Crystals are regular arrays of atoms, whilst X-rays are waves of EM radiation. Crystal atoms scatter
incident X-rays, primarily through interaction with the atom’s electrons. This phenomenon is
known as elastic scattering; the electron is known as the scatterer.
• A regular array of scatterers produces a regular array of spherical waves. In the majority of
directions, these waves cancel each other out through destructive interference, however, they add
constructively in a few specific directions, as determined by Bragg’s law:
• nλ = 2dsinθ, where “n” is an integer, and “λ” is the beam wavelength, “d” is the spacing between
diffracting planes and “θ” is the incident angle.
• X-rays scattered from adjacent crystalline planes will combine constructively (constructive
interference) when angle θ between plane and X-ray results in path-length difference that is
integer multiple “n” of X-ray wavelength “λ”.
Components of a XRD instrument
Incident-beam optics • X-ray tube: source of X-rays
Receiving-side optics
• Incident-beam optics:
condition the X-ray beam before
it hits the sample.
• Goniometer: platform that
holds and moves the sample,
optics, detector, and/or tube.
• Sample holder
• Receiving-side optics: condition the X-ray
beam after it has encountered the sample.
• Detector: count the number of X-rays
scattered by the sample.

• Incident angle () is defined between

the X-ray source and sample.
• Diffracted angle (2) is defined

(Interference
between the incident beam and the

pattern)
detector angle.
• Incident angle () is always ½ of the
detector angle 2 i.e. .
• In a typical XRD instrument, the X-ray
tube is fixed, the sample rotates at
°/min and detector rotates at 2°/min.
 X-Ray Diffractometer
• It is the instrument used to
produce monochromatic x-rays.
• Focuses beam on sample.
• Scans through a 2θ range.
• Detects reflected x-rays and their
intensity.
• Attached to a goniometer for
simultaneous scanning.
• Optics focus x-ray beam on sample.
• Reflects x-rays into detector.
• Detector: Gas-filled or scintillation
or semiconductor.
• Records peak position and intensity
during constructive interference.
• Displayed on a diffractogram.
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 X-ray Diffraction Pattern Parameters and Analysis
➢ XRD Plot: Signal intensity at two theta positions.
➢Peak Intensity and Peak position
• Two theta positions atoms within a lattice structure.
• Intensity of peaks correlates with number of atoms in
phase.
• Greater peak intensity indicates more crystals or
molecules with specific spacing.
➢Peak Width and Crystal Size
• Peak width inversely proportional to crystal size.
• Thinner peak indicates larger crystal.
• Broader peak suggests smaller crystal, defect, or
amorphous nature.
➢ Diffraction Pattern Database Confirmation
• Matches unknown compound patterns with literature and
experimental values.
• Verifies element identity by matching location, width, and Joint Committee on Powder Diffraction Standards (JCPDS)
relative heights of diffraction patterns. International Crystal Structure Database (ICSD)
39
 Crystallite size from XRD
➢Crystallite:
• Small crystal composed of multiple atoms/molecules.
• A crystallite is that portion of the crystal which diffracts light
coherently.
• Calculated using XRD diffractogram using Scherrer's formula.
➢Grain:
• During crystal growth, multiple nucleation centers
responsible for grain formation.
• Grain contains multiple crystallites.
• Grain size is detected using SEM.
➢Particle:
• Consists of single crystal or agglomeration of several grains.
• Grains combine to form particles.
• Particle size always larger than crystallite size.
• Particle size is detected using TEM.
Particle ≤ grain ≤ crystallite < unit cell
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 Crystallite Size
• Crystallite size: D= k λ/β cos θ.
• β=FWHM in radians, θ= Bragg angle, λ= X-ray wavelength.
• k=Scherrer constant depends on shape.
• 0.94 For FWHM of spherical crystals with cubic symmetry.

P.H. Scherrer
(1890-1969)

41
 XRD numerical problems
1. If X-rays of wavelength 0.9 Å are diffracted at an angle of 7 0 in the first order, what is the
spacing between the adjacent planes of the crystal in Å?
➢ According Bragg’s law
Solution: ✓ 2dsin θ= nλ
• Wavelength of X-rays= 0.9 Å = 0.9x10-10 m ✓ 2 x d x sin(70)= 1x 0.9x10-10
• Angle (θ)= 70 ✓ 2x d x 0.1218 = 1x 0.9x10-10
• First order reflection=n=1 ✓ d= 0.9x10-10/0.2436
• Spacing between the adjacent planes=d=? ✓ d=3.6946x10-10 cm
✓ 3.6946 Å
2. Estimate the crystallite size of the given nanomaterial using p-XRD data: Peak position 2θ =
21.61o, FWHM of sample = 2.51o, k = 0.9 and λ = 1.5406 Å (degree to radian = Degree × π/180).

Given: • According to Scherrer’s equation D= : kxλ

✓ 2θ = 21.61o (θ = 10.805o) βx Cosθ
✓ β= FWHM = 2.51o (0.043825 radian) • Crystallite size= 0.94x0.15406
✓ k = 0.94 0.043825x0.982257
✓ λ = 1.5406 Å (0.15406 nm) D = 3.22 nm
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 Applications, Advantages and Disadvantages
➢Applications:
• Distinguishing between crystalline and amorphous materials.
• Details unit cell dimensions, atom positions, and crystal symmetry.
• Determining texture of polygrained materials.
• Measuring strain and small grain size.
➢Advantages:
• Lowest cost, convenience, and widely used for crystal structure determination.
. • No significant air absorption, requiring no evacuated chamber.
• Nondestructive technique
➢Disadvantages:
• X-rays do not interact very strongly with lighter elements

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