Group No.

02

MME 412: Material Characterization Lab

Student Name: Muhammad Nauman Butt, Sehar Khalid, Maroof Faheem.

Student Roll Numbers: 20MME-S1-315, 20MME-S1-304, 20MME-S1-313.
Section: S1.
Experiment No. & Title: # 5, Introduction to x-ray diffraction (XRD).
Instructor Name: Prof. Dr. Mohsin Ali Raza, Dr. Kabeer Raza Chishti,
Prof. Dr. Aqil Inam.
Date: 25-12-2023

Domain Assessment
Cognitive Score Obtained Numbers
Cover Page 0
Introduction & Objectives 5
Experimental / Procedure 5
Results & Discussion 10
Conclusion 5
Cognitive Total 25
Affective Score Obtained Numbers
On-time Submission 5
Plagiarism 5
Affective Total 10

INSTITUTE OF METALLURGY AND MATERIALS ENGINEERING

UNIVERSITY OF THE PUNJAB
Material Characterization Lab Lab Report

Table of Contents
1 Objective: 3

2 Principle: 3

3 Introduction: 3
3.1 X-ray diffraction (XRD) and Analysis of (XRD): . . . . . . . . . . . . . . . 3
3.2 X-ray diffractometer (XRD) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
3.2.1 X-ray source: . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . 4
3.2.2 Sample holder and Monochromator: . . . . . . . . . . . . . . . . . . . . . . . . 4
3.2.3 Detector . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . 4
3.2.4 XRD data acquisition and collection software . . . . . . . . . . . . . . . . . . 5
3.2.5 Goniometer: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
3.2.6 Gas Cylinder: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
3.2.7 Chiller: . . . . . . . . . . . . . . . . . . . . . . .
. . . . . . . . . . . . . . . . . . 5
3.3 Working of X-ray Diffraction: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
3.4 Applications: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6

4 Experimental: 6
4.1 Materials and Equipments: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
4.2 Procedure: . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
4.2.1 Sample Preparation: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
4.2.2 System Setup: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
4.2.3 X-ray Instrument Setup: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
4.2.4 Calibration and Sample Placement: . . . . . . . . . . . . . . . . . . . . . . . . 7
4.2.5 Running the XRD Measurement: . . . . . . . . . . . . . . . . . . . . . . . . . 7
4.2.6 Data Saving and Shutdown: . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7
4.2.7 Power Down and Maintenance: . . . . . . . . . . . . . . . . . . . . . . . . . . 7

5 Results: 7
5.1 XRD Analysis of Sample 1: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7
5.1.1 Calculating d-spacing . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
5.1.2 Indexing the Crystal System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
5.1.3 Determining Bravais lattice: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
5.1.4 Calculating Lattice Paramter: . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
5.2 XRD Analysis of Sample 2: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10
5.2.1 Calculating d-spacing . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11
5.2.2 Indexing the Crystal System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11
5.2.3 Determining Bravais Lattice: . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
5.2.4 Calculating Lattice Paramter: . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
5.3 Comparative XRD Analysis of Samples Under Varied Parameters . . . . 13

6 Discussion: 14
6.1 Sample 1: Yttrium Oxide (Y2 O3 ) : . . . . . . . . . . . . . . . . . . . . . . . . . . 14
6.1.1 XRD Analysis Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14
6.1.2 Manual Calculations Validation . . . . . . . . . . . . . . . . . . . . . . . . . . 14

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Material Characterization Lab Lab Report

6.1.3 Parameter Variation Impact . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14

6.2 Sample 2: Corundum (Al2 O3 ) : . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
6.2.1 XRD Analysis Results . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15
6.2.2 Consistency in Manual Calculations . . . . . . . . . . . . . . . . . . . . . . . . 15

7 Conclusion: 15

List of Figures
1 XRD diffractometer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3
2 Sample Holder of X-ray Diffraction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
3 Detector . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
4 (a) Gas Cylinder (b) Chiller . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
5 XRD Analysis of Sample 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7
6 XRD Analysis of Sample 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10
7 Yttrium Oxide (Y2 O3 ) (a) at 10◦ (b) at 20◦ (c) height less than standard (d) height more than
standard . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13
8 Yttrium Oxide (Y2 O3 ) (a) height slightly lower than the standard (b) spin holder degree . . . 14

List of Tables
1 XRD Analysis of Sample 1: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
2 Indexing the Crystal System of Sample 1: . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
3 XRD Analysis of Sample 2: . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10
4 Indexing the Crystal System of Sample 2: . . . . . . . . . . . . . . . . . . . . . . . . . . . 11

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Material Characterization Lab Lab Report

Lab Report 5
“Introduction to x-ray diffraction (XRD)”

1. Objective:
The objective of this experiment is to investigate diffractometer components, conduct powder X-ray diffraction
on samples 1 and 2, compare data using Kalpha 1 and both Kalpha 1 and 2, analyze the impact of sample angle
and height on XRD pattern quality.[1][2]

2. Principle:
In this experiment, we harness the constructive interference of monochromatic X-rays and a crystalline sam-
ple. First, we generate X-rays using a cathode ray tube and then filter them to ensure monochromatic radiation.
Next, we carefully align and concentrate the X-rays before directing them towards the sample. [1][2]

3. Introduction:
3.1. X-ray diffraction (XRD) and Analysis of (XRD):
X-ray powder diffraction (XRD) is an invaluable tool for unveiling the crystal structure of a substance by study-
ing its X-ray scattering patterns. With its wide range of applications in areas such as materials science, pharma-
ceuticals, forensics, and geology, this versatile technique offers crucial insights into a diverse array of samples.
Its vital role in our understanding of the composition of different substances cannot be overstated.[1][2]

3.2. X-ray diffractometer (XRD)

A crucial tool in material analysis, the X-ray diffractometer (XRD) delves into the intricate crystal structures
of substances. Through a series of precise components, it produces X-ray diffraction patterns that reveal the
unique makeup of a material.[1][2]

(a) (b)

Figure 1: XRD diffractometer

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Material Characterization Lab Lab Report

3.2.1. X-ray source:

X-rays are produced by the X-ray source and then aimed towards the sample. X-ray tubes and synchrotron
radiation are among the most commonly used types of X-ray sources.[1][2]

3.2.2. Sample holder and Monochromator:

During XRD analysis, the sample holder securely holds the sample in position. This holder is usually affixed
to a goniometer, which enables the sample to effectively rotate through a diverse set of angles. Using a crystal,
the monochromator expertly filters X-ray wavelengths. By strategically directing the X-rays at a precise angle,
known as the Bragg angle, the crystal causes them to diffract. This allows the monochromator to effectively
isolate a desired range of X-ray wavelengths, achieving precise and accurate results.[1][2]

Figure 2: Sample Holder of X-ray Diffraction

3.2.3. Detector

In our laboratory diffractometer, we utilize a specialized detector known as a proportional counter. This de-
tector, which boasts a unique curved shape, is positioned in an arc above the holder. To protect the delicate
equipment from any potential harm from undiffracted X-rays, we have taken the precaution of inserting a lead
sheet in the detector’s straight portion facing the sample at a 2θ angle relative to the incident beam.[1][2]

Figure 3: Detector

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Material Characterization Lab Lab Report

3.2.4. XRD data acquisition and collection software

During analysis, XRD data is collected and processed with software, named as Match, to discern the mate-
rial’s crystal structure by comparing it to established XRD patterns. Data acquisition software manages the
collection, retrieval, and storage of data for analysis.[1][2]

3.2.5. Goniometer:

The goniometer allows for the rotation of the sample at multiple angles, which makes it possible to measure
the diffracted X-ray beams at various angles. This makes it easier to construct the XRD pattern by providing a
comprehensive view of the diffraction.[1][2]

3.2.6. Gas Cylinder:

A state-of-the-art proportional counter detector relies on a gas cylinder filled with 99.9% pure Argon to provide
the essential purge. In addition, the cylinder may also be infused with a specific amount of ethane to aid in
regulating electron ionization. The purging process, crucial for optimal functioning, takes place at a precisely
monitored pressure of 6 bar.[1][2]

3.2.7. Chiller:

The goal of the chiller is to keep the temperature of the circulating water in the X-ray tube from rising more than
20°C. This is accomplished through a pump that maintains a pressure of 3 bar while circulating the water.[1][2]

(a) (b)

Figure 4: (a) Gas Cylinder (b) Chiller

Subsequently, the complex components of an XRD system work together harmoniously to produce detailed
X-ray diffraction patterns, integral in identifying the crystal structure of a material. The X-ray source releases
highly focused rays onto the secured sample, held in place by the sample holder. The monochromator filters
and selects precise X-ray wavelengths, while the detector precisely identifies the scattered rays. The data
collection and analysis software meticulously examine the XRD data, revealing the intricate crystal structure
of the material. [1][2]

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Material Characterization Lab Lab Report

3.3. Working of X-ray Diffraction:

With advanced technology and precision, X-ray diffractometers, such as the highly effective D8-Discover by
Bruker, encompass an X-ray tube, sample holder, and detector. Through the heating of a cathode ray tube
filament, the X-rays emitted provide unique spectrums when aimed at a designated target. These X-rays are
expertly filtered for monochromatic, specifically targeting Kα and Kβ rays, before precisely collimating onto
the sample. Through the rotation of both the sample and detector, the renowned Bragg’s Equation dictates the
necessary geometry for maximum interference, resulting in detectable intensity peaks. Often utilizing Copper
(CuKα radiation = 1.5418Å), these diffractometers are especially useful for single-crystal diffraction. The
detector captures and translates reflected X-rays into a count rate, unlocking valuable structural insights that
can be outputted to various devices, including printers and computer monitors.[1][2]

3.4. Applications:
X-ray powder diffraction is most widely used for the identification of unknown crystalline materials (e.g. min-
erals, inorganic compounds). Determination of unknown solids is critical to studies in geology, environmental
science, material science, engineering and biology. [1][2]Other applications include:
• Characterization of crystalline materials..

• Determination of unit cell dimensions

• Measurement of sample purity

4. Experimental:
4.1. Materials and Equipments:
The materials and equipment that are in this experiment is given below:
⋆ X-ray Diffractometer (ThermoFisher arl Equinox 2000 benchtype), as shown in the fig.1.

⋆ Known Samples (Yttrium oxide (Y2 O3 ) & Corundum (Al2 O3 ).

4.2. Procedure:
4.2.1. Sample Preparation:

In order to obtain a thorough and accurate analysis, the sample was expertly ground into a finely powdered
state. For solid samples such as metal pieces, pellets, or strips, a cleverly designed flat sample holder equipped
with double-sided tape was utilized.

4.2.2. System Setup:

The AC and UPS hummed to life, eagerly anticipating the smooth and steady sine wave performance of the
UPS. As soon as the temperature reached a comfortable 20◦ Celsius, the chiller was activated and the machine
was powered on. It was carefully observed that the chiller pressure had reached a moderate 6 bar.

4.2.3. X-ray Instrument Setup:

Upon establishing a connection to the server, the X-ray tube was activated. Gradually, the voltage and current
levels were boosted by 5, reaching a peak of 25 kV and 15 mA. Next, we verified the gas pressure on the

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Material Characterization Lab Lab Report

cylinder (set at 6 bar) and made sure the detector control software was functioning properly before powering
on the detector itself.

4.2.4. Calibration and Sample Placement:

The XRD instrument was expertly calibrated using a standard sample of yttrium oxide, ensuring precise mea-
surements by matching its pattern to the extensive database. With the sample in place and properly secured in
the sample holder, the instrument was ready for use.

4.2.5. Running the XRD Measurement:

The XRD measurement commenced by pressing the start button, following the designated parameters.

4.2.6. Data Saving and Shutdown:

After taking the measurement, the raw data files were carefully named and saved for future reference, using the
convenient Excel format. As the operation came to a close, the voltage and current were gradually reduced to
0 kV and 0 mA. The detector was then powered off and the server connection was gracefully terminated.

4.2.7. Power Down and Maintenance:

The machine’s power supply was first switched off, followed by the chiller and UPS after a brief five-minute
interval. To maintain its efficiency, the chiller water was regularly replaced every three months, and frequent
inspections were conducted to prevent any potential water leaks from the cabinet’s piping.

5. Results:
5.1. XRD Analysis of Sample 1:
Post-measurement, software generates Excel files with 2θ a nd intensity data. Figure 5 reveals crystallographic
details, aiding d-spacing, lattice parameters, and Miller indices calculations.

Figure 5: XRD Analysis of Sample 1

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Material Characterization Lab Lab Report

The above XRD analysis of the sample 1 showed that it is Yttrium Oxide (Y2 O3 ) as predicted by the
Match software with the following parameters as shown in the table:

Table 1: XRD Analysis of Sample 1:

2θ d-spacing Planes
Angle(◦ ) (Å) (hkl)
20.6225 4.307 (211)
29.3265 3.0455 (222)
33.9912 2.6375 (400)
48.8337 1.865 (440)
57.9885 1.5905 (622)
Lattice Parameter 10.58180 Å
Bravais Lattice Cube(BCC)

Manual calculations:
5.1.1. Calculating d-spacing

As we know that

nλ = 2d sin(θ ) (n = 1)

λ = 1.54 Å (Cu = Kα )

By putting these values

d = 1.54/2 sin θ

for all values of θ the d-spacing is calculates as below:

2θ = 20.43 =⇒ θ = 20.6225/2 = 10.3112

d = 1.54/2 sin(10.3112) = 4.307Å

Similarly, for all values of 2θ from table 1, the d-spacing is calculated as given below:

For 2θ = 29.3265 =⇒ d = 3.0455Å

For 2θ = 33.9912 =⇒ d = 2.6375Å

For 2θ = 48.8337 =⇒ d = 1.865Å

For 2θ = 57.9885 =⇒ d = 1.5905Å

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Material Characterization Lab Lab Report

5.1.2. Indexing the Crystal System

Table 2: Indexing the Crystal System of Sample 1:

2θ d-spacing 1/d2 (1/d2 )/0.0539 Integer Planes

Angle(◦ ) (Å) (Å−2 ) (Å−2 ) X(6) (hkl)
20.6225 4.307 0.0539 1 6 (211)
29.3265 3.0455 0.1078 2 12 (222)
33.9912 2.6375 0.1437 2.66 16 (400)
48.8337 1.865 0.2875 5.33 32 (440)
57.9885 1.5905 0.3953 7.33 44 (622)

5.1.3. Determining Bravais lattice:

Above all values of (hkl) planes shows that their sum (h+k+l) is even so the given sample 1 has body-centered
cubic structure.

5.1.4. Calculating Lattice Paramter:

For any above plane the lattice parameter can be calculated as:
p
a = d h2 + k 2 + l 2

for (211) plane

√
a = 4.307 4 + 1 + 1

a = 10.5499Å

Similarly, for every plane with its respective d spacing value the lattice parameter will be same.

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Material Characterization Lab Lab Report

5.2. XRD Analysis of Sample 2:

After running measurement, the software analysis produces an Excel file containing 2θ and intensity data. The
figure 6 depicting peaks offers valuable crystallographic details. Through calculations, whether generated by
the software or done by hand, we can determine the d-spacing, lattice parameters, and Miller indices that are
vital for identifying the structure of the material.

Figure 6: XRD Analysis of Sample 1

The above XRD analysis of the sample 1 showed that it is Corundum (Al2 O3 ) as predicted by the Match
software with the following parameters as shown in the table:

Table 3: XRD Analysis of Sample 2:

2θ d-spacing Planes
Angle(◦ ) (Å) (hkl)
25.7988 3.4534 (102)
35.4761 2.5304 (104)
38.0981 2.3621 (110)
42.0904 2.1468 (006)
46.5846 1.9497 (202)
58.0592 1.5887 (116)
Lattice Parameter a=4.7242Å c=12.8810Å
Bravais Lattice Tetragonal (HCP)

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Material Characterization Lab Lab Report

Manual calculations:
5.2.1. Calculating d-spacing

As we know that

nλ = 2d sin(θ ) (n = 1)

λ = 1.54 Å (Cu = Kα )

By putting these values

d = 1.54/2 sin θ

for all values of θ the d-spacing is calculates as below:

2θ = 25.7988 =⇒ θ = 25.7988/2 = 12.8994

d = 1.54/2 sin(12.8994) = 3.4534Å

Similarly, for all values of 2θ from table 3, the d-spacing is calculated as given below:

For 2θ = 35.4761 =⇒ d = 2.5304Å

For 2θ = 38.0981 =⇒ d = 2.3621Å

For 2θ = 42.0904 =⇒ d = 2.1468Å

For 2θ = 46.5846 =⇒ d = 1.9497Å

For 2θ = 58.0592 =⇒ d = 1.5887Å

5.2.2. Indexing the Crystal System

Table 4: Indexing the Crystal System of Sample 2:

2θ d-spacing 1/d2 (1/d2 )/0.0838 (1/d2 )/0.1561 Planes

Angle(◦ ) (Å) (Å−2 ) (Å−2 ) (Å−2 ) (hkl)
25.7988 3.4534 0.0838 1 0.53 (102)
35.4761 2.5304 0.15618 1.86 1 (104)
38.0981 2.3621 0.1792 2.13 1.147 (110)
42.0904 2.1468 0.2072 2.47 1.32 (006)
46.5846 1.9497 0.2630 3.13 1.68 (202)
58.0592 1.5887 0.3962 4.72 2.53 (116)

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Material Characterization Lab Lab Report

5.2.3. Determining Bravais Lattice:

Above, for all (hkl) planes in line with Hexagonal Close-Packed structures, the rule holds: ’L’ is even, and ’H
+ 2K’ isn’t a multiple of 3, classifying the sample as tetragonal (HCP).

5.2.4. Calculating Lattice Paramter:

For any above plane the lattice parameter can be calculated as:
1 h2 + k 2 l 2
= + 2
d2 a2 c
In above equation, h, k,l and d is known but we still have 2 unknown quantities i.e. a and c. To deal with this
problem we need to choose a peak in which either is zero i.e. (hk0) or h and k both are zero i.e. (001).
⋆ If we choose a peak in which l is zero, then we can proceed our calculation for lattice constant a.
⋆ Similarly, if we choose a peak in which both h and k are zero, then we can perform our calculation for
lattice constant c.
Similarly, if we choose a peak in which both h and k are zero, then we can perform our calculation for lattice
constant c.
Now calculating for lattice constant a. Subsequently, we have (110) peak.
1 h2 + k 2 l 2
= + 2
d2 a2 c
For (110) plane putting values in it.
1 12 + 12 02
= + 2
(2.3621)2 a2 c

1 22
=
(2.3621)2 a2
Taking square-root on both sides gives.
1 2
=
2.3621 a

a = 4.7242Å
Now calculating for lattice constant [Link], we have (006) peak.
1 h2 + k 2 l 2
= + 2
d2 a2 c
For (006) plane putting values in it.
1 02 + 02 62
= + 2
(2.1468)2 a2 c

1 62
=
(2.1468)2 c2

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Material Characterization Lab Lab Report

Taking square-root on both sides gives.

1 6
=
2.1468 c

c = 12.8808Å

5.3. Comparative XRD Analysis of Samples Under Varied Parameters

The data collected during the experiment encompasses a variety of changes in sample parameters, such as tilt
angles, sample height compared to the standard, and shutter index. Using Match Software, we have generated
graphs that demonstrate the effect of these parameters on the resulting diffraction patterns. The following
graphs represent the collected data.

(a) (b)

(c) (d)

Figure 7: Yttrium Oxide (Y2 O3 ) (a) at 10◦ (b) at 20◦ (c) height less than standard (d) height more than standard

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Material Characterization Lab Lab Report

(a) (b)

Figure 8: Yttrium Oxide (Y2 O3 ) (a) height slightly lower than the standard (b) spin holder degree

6. Discussion:
6.1. Sample 1: Yttrium Oxide (Y2 O3 ) :
6.1.1. XRD Analysis Results

The XRD analysis undeniably reveals the material to be Yttrium Oxide, exhibiting a sturdy and cubic body-
centered structure. The accuracy and validity of our findings are reinforced by the congruence between the data
produced by software and the data acquired through manual calculations, both of which consistently confirm
d-spacing, crystal system indexing, and lattice parameter details.

6.1.2. Manual Calculations Validation

By utilizing a combination of manual calculations and software-generated results, the d-spacing and indexing
processes for crystal systems were performed with precision and thoroughness, ultimately confirming the BCC
structure of Yttrium Oxide. This substantiates the credibility and reliability of the identified structure.

6.1.3. Parameter Variation Impact

Comparative XRD analysis under varied parameters for Yttrium Oxide reveals how alterations in tilt angles,
sample height, and other parameters affect diffraction patterns. This exploration provides insights for future
experiments and data interpretation.
• Tilt angle: When the tilt angle is set at 10°, it results in the inability to detect the peaks at 20°. This indi-
cates that the crystal planes related to the 20° peaks fail to satisfy the necessary conditions for constructive
interference in the diffraction pattern at this angle. In order to achieve optimal diffraction patterns for
specific crystal structures, adjusting the tilt angle is a widely used technique in PXRD.

• Sample Height Variation: The height of the sample compared to the standard can greatly impact the
diffraction pattern and potentially cause peaks to be missed. This is because the sample’s location in
relation to the X-ray beam plays a crucial role in achieving constructive interference.

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Material Characterization Lab Lab Report

• Shutter Index: When the shutter index is closed, no X-rays are able to pass through. However, once it
is open, both Kα1 and Kα2 are able to pass through. This aligns with our expectations, as opening the
shutter allows X-rays from the X-ray tube to reach the sample.

• Shutter Gap: At a shutter index gap of 100 microns, only Kα1 is able to pass. This indicates that the
size of the gap is directly impacting the passage of X-rays, allowing only one characteristic X-ray line to
successfully pass through

6.2. Sample 2: Corundum (Al2 O3 ) :

6.2.1. XRD Analysis Results

The findings reveal that the material is Corundum, with a tetragonal (HCP) structure. Analysis of both
computer-generated and hand-calculated data for d-spacing, crystal system indexing, and lattice parameters
consistently confirm the presence of Corundum.

6.2.2. Consistency in Manual Calculations

By manually calculating d-spacing, crystal system indexing, and lattice parameters, we are able to further
strengthen the software-generated identification of Corundum, ultimately confirming its tetragonal structure.
This not only solidifies our understanding of the crystal system, but also engages us in the process of verifica-
tion.

7. Conclusion:
Sample 1 and 2 were found to be Yttrium Oxide and Corundum respectively. Sample 1 has bravais lattice
and lattice parameters of Cube(BCC) and a = 10.58 Å respectively . Sample 2 has bravais lattice and lattice
parameters of Tetragonal(HCP) and a = 4.72 Å c = 12.8810 Å respectively.

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Material Characterization Lab Lab Report

References

[1] Carleton College SERC, “Fundamental Principles of X-ray Powder Diffraction (XRD).”
[Link]
[Link]#:˜:text=Fundamental%20Principles%20of%20X%2Dray%20Powder%
20Diffraction%20(XRD)&text=X%2Dray%20diffraction%20is%20based,and%
20directed%20toward%20the%20sample, 2023. Accessed on: December 23, 2023.

[2] LibreTexts, “Powder X-ray Diffraction.” [Link]

Analytical_Chemistry/Supplemental_Modules_(Analytical_Chemistry)
/Instrumentation_and_Analysis/Diffraction_Scattering_Techniques/
Powder_X-ray_Diffraction, 2023. Accessed on: December 23, 2023.

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