sample xrd patterns
DESCRIPTION
MATERIALS SCIENCE & ENGINEERING. Part of. A Learner’s Guide. AN INTRODUCTORY E-BOOK. Anandh Subramaniam & Kantesh Balani Materials Science and Engineering (MSE) Indian Institute of Technology, Kanpur- 208016 Email: [email protected], URL: home.iitk.ac.in/~anandh. - PowerPoint PPT PresentationTRANSCRIPT
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SAMPLE XRD PATTERNSSAMPLE XRD PATTERNSMATERIALS SCIENCEMATERIALS SCIENCE
&&ENGINEERING ENGINEERING
Anandh Subramaniam & Kantesh Balani
Materials Science and Engineering (MSE)
Indian Institute of Technology, Kanpur- 208016
Email: [email protected], URL: home.iitk.ac.in/~anandh
AN INTRODUCTORY E-BOOKAN INTRODUCTORY E-BOOK
Part of
http://home.iitk.ac.in/~anandh/E-book.htmhttp://home.iitk.ac.in/~anandh/E-book.htm
A Learner’s GuideA Learner’s GuideA Learner’s GuideA Learner’s Guide
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We have already seen the selection rules in Chapter_3c_X_Ray_Diffraction.ppt. Here we consider some sample patterns to identify some salient features of the patterns
and further see the differences between the patterns.
XRD powder patterns from various materials
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d [nm] 2[de] Int. h k l Mul.
1 0.3359 26.520 1000.0 1 0 0 6
2 0.2375 37.840 797.2 1 1 0 12
3 0.1939 46.800 294.4 1 1 1 8
4 0.1680 54.600 141.3 2 0 0 6
5 0.1502 61.700 394.2 2 1 0 24
6 0.1371 68.360 292.7 2 1 1 24
7 0.1188 80.880 94.0 2 2 0 12
8 0.1120 86.940 40.3 3 0 0 6
9 0.1120 86.940 161.3 2 2 1 24
10 0.1062 92.960 144.5 3 1 0 24
11 0.1013 99.040 135.0 3 1 1 24
12 0.0970 105.200 43.7 2 2 2 8
13 0.0932 111.560 132.5 3 2 0 24
14 0.0898 118.200 277.6 3 2 1 48
15 0.0840 133.060 43.2 4 0 0 6
16 0.0815 142.000 211.3 4 1 0 24
17 0.0815 142.000 211.3 3 2 2 24
18 0.0792 153.280 150.2 3 3 0 12
19 0.0792 153.280 300.3 4 1 1 24
SC Po
All peaks present
Look at general trend line!(reminds one of Lorentz-Polarization factor)
Note that all hkl are present
Only elemental metal with SC structure under
‘normal’ conditions.
1
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Probabilistic occupation of each BCC lattice site: 50% by Cu, 50% by Zn
NiAlDisordered structure
True composition of the phase giving rise to the XRD pattern Ni0.4Al0.6
Compare with ordered structure in upcoming slides
BCC2
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SC
NiAl
Superlattice reflections (weak)
Calculated Pattern
Ordered structure
3 NiAl
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NiAl pattern from 0-160 (2)
Superlattice reflections (weak)
Calculated Pattern
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Comparison of this ordered structure with the disordered structures reveals the following:
1) Existence of superlattice (weak) peaks in the ordered structure
2) Slight difference in the peak positions due to a difference in stoichiometry.
Missing peaks
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InBCT
Six {002}CUBIC planes are not equivalent now in tetragonal In → split into {002}2 members and {200}4 members
Similarly some other equivalent planes in cubic
become non-equivalent now
4 The selection rule is similar to BCC i.e. (h+k+l) should be even.
The (200) and (020) planes give rise to one peak, while the (002) plane gives rise to a separate peak (due to lowering of symmetry as compared to the cubic crystal).
The (101) & (011) give rise to one peak, while the (110) gives rise to a separate peak.
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Ni3Al
Ni
Al
Superlattice reflections (weak)
SC5
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Fe3C Cementite
Fe3C (Cementite)Lattice parameter(s) 5.089 Å, 6.7433 Å, 4.5235 Å
Space Group P 21/n 21/m 21/a (62)
Strukturbericht notation DO11
Pearson symbol oP16
Other examples with this structure
Fe3B, Co3C
OR6 Interstitial compound
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Al2O3
Lattice parameter(s)a=4.7593 Å, c=12.9925 Å
(c/a=2.7299)
Space Group R 3 2/c (167)
Pearson symbol hR30
Al2O3Trigonal7
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0
500
1000
1500
2000
2500
3000
10 20 30 40 50 60 70 80 90 1002
Inte
nsi
ty
Alumina (Al2O3)
012
104
110
31.65006
113
024
116
018
214300
1 0 10
0 2 100 0 12
-246128
223
No d [nm] 2 [deg.]
I h k l
1. 0.3480 25.580 620.2 0 1 2
2. 0.2551 35.140 1000.0 1 0 4
3. 0.2380 37.780 468.8 1 1 0
4. 0.2086 43.360 506.9 1 1 3, 1 1 -3
5. 0.1740 52.540 528.5 0 2 4
6. 0.1602 57.500 526.0 1 1 6, 1 1 -6
7. 0.1511 61.300 82.9 0 1 8
8. 0.1405 66.520 215.2 1 2 -4, 2 1 4
9. 0.1374 68.200 661.1 3 0 0
10. 0.1239 76.880 195.4 1 0 10
11. 0.1234 77.240 52.2 1 1 9, 1 1 -9
12. 0.1190 80.700 76.9 2 2 0
13. 0.1147 84.340 31.8 2 2 -3, 2 2 3
14. 0.1126 86.340 23.4 1 3 -2, 3 1 2
15. 0.1099 89.000 94.6 0 2 10
High Intensity Peaks Al2O3 XRD pattern (Polycrystalline Sample)
Experimental Pattern
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Al3Ni
Superlattice reflections (weak)
SC5
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