Electron Diffraction Patterns

Dr. Hongzhou Zhang

hozhang@tcd.ie
SNIAM 1.06
896 4655

Lecture 3

g hkl plane (hkl )

g hkl

: The g is the plane normal

Angles between g = Angles between the corresponding planes

2

Properties of
Reciprocal space

d hkl
Rd hkl L

Diffraction Patterns (DPs):

Lattices in the Intersecting plane of the Ewald Sphere
and the reciprocal lattice - ZOLZ

Diffraction

The diffraction planes are almost // the beam (angle~30)

Beam direction is approximately the zone axis hu kv lw 0

DPs
R, angles between Rs

g, angles between g

Planes, angles between planes

Beam direction

Electron diffraction Patterns

Polycrystalline: Ring Pattern
Identification of phase
extraction replicas
Fine grain size polycrystalline, CVD foils

Single-crystal:
Spot
The foil orientation
Accessibility of certain
orientations/diffracting vectors
Well-defined tilt axis
Identify: precipitates, twins, martensite
plates etc.
Orientation relationship between phases
Details of the fine structures

Kikuchi line (Pairs of parallel bright/dark

lines)
Reasonably thick: ~1/2 maximum usable
penetration
Low defect density

Selected-Area
Diffraction Patterns
Accuracy of operation of
the TM is important
SADP: the image and
selector aperture
coplanar (objective lens
in focus)
Spherical aberration
Sample height
Instability of lens current
and/or high tension

Indexing?
Indices of diffraction
spots hkl
spacing between lattice
planes, lattice constants

The orientation of the

crystal and beam
direction

Indexing: Ring Patterns

Known materials

Unknown substance

Use of Ring Pattern

Measure n, (diameters of the rings)

Determine the ratios of n/ 1 (1
innermost ring)
Check the ratios against the table of
ratios of the inter-plannar spacing
Measure n, (diameters of the rings)
Convert the n into inter-plannar
spacing (camera constant)
Use ICDD index to identify the phase
starting from the most likely
Or Determine the ratios of n/ 1 ..
(depending on the crystal structures)
If failed try XRD and X-ray
microanalysis!
Calibrate the Camera Length
Identify phases

ICDD: The international Centre for Diffraction Data

Indexing: simple spot patterns

Spots are in one zone axis
By inspection: Cubic yes; Hexagonalno (for particular c/a
patterns are similar for different zone axis)

Indexing
Determine the {hkl} indices of the spot
Camera constant: measure R work out d
Ratios: measure dn/d1 check low index planes

Assign specific (hkl) to the individual spot

Closest spot (to the direct beam): arbitrarily indexed

The other two spots, check
Vector addition
Angles between them

All the others: vector addition with opposite spots (-h-k-l),(hkl)

Determine beam direction B

[uvw]: z = B = g1 g2
Anticlockwise indexing rule: B upward normal from the pattern to the
incident beam

Example: Pure Nickel

American Mineralogist Crystal Structure database

FCC, a = 3.524 A

http://rruff.geo.arizona.edu/AMS/amcsd.php

Cubic System
1 h2 k 2 l 2 N

2
d2
a2
a

For cubic system:

d 22 R12 N1

d12 R22 N 2

Rd hkl L
hkl

d1 R2

d 2 R1

N2
N1

N h2 k 2 l 2

100

110

111

200

210

211

220

300

221

310

311

222

320

321

400

410

322

411

330

331

420

421

332

422

500

430

510

431

511

333

520

432

h k l N1

1.0000

1.4142

1.7321

2.0000

2.2361

2.4495

2.8284

3.0000

3.0000

3.1623

3.3166

3.4641

3.6056

3.7417

4.0000

4.1231

4.1231

4.2426

4.2426

4.3589

4.4721

4.5826

4.6904

4.8990

5.0000

5.0000

5.0990

5.0990

5.1962

5.1962

5.3852

5.3852

1 0 0

1.0000

1.0000

1.4142

1.7321

2.0000

2.2361

2.4495

2.8284

3.0000

3.0000

3.1623

3.3166

3.4641

3.6056

3.7417

4.0000

4.1231

4.1231

4.2426

4.2426

4.3589

4.4721

4.5826

4.6904

4.8990

5.0000

5.0000

5.0990

5.0990

5.1962

5.1962

5.3852

5.3852

1 1 0

1.4142

0.7071

1.0000

1.2248

1.4142

1.5812

1.7321

2.0000

2.1213

2.1213

2.2361

2.3452

2.4495

2.5496

2.6458

2.8285

2.9155

2.9155

3.0000

3.0000

3.0822

3.1623

3.2404

3.3166

3.4641

3.5356

3.5356

3.6056

3.6056

3.6743

3.6743

3.8079

3.8079

1 1 1

1.7321

0.5773

0.8165

1.0000

1.1547

1.2910

1.4142

1.6329

1.7320

1.7320

1.8257

1.9148

1.9999

2.0816

2.1602

2.3093

2.3804

2.3804

2.4494

2.4494

2.5165

2.5819

2.6457

2.7079

2.8284

2.8867

2.8867

2.9438

2.9438

2.9999

2.9999

3.1091

3.1091

2 0 0

2.0000

0.5000

0.7071

0.8661

1.0000

1.1181

1.2248

1.4142

1.5000

1.5000

1.5812

1.6583

1.7321

1.8028

1.8709

2.0000

2.0616

2.0616

2.1213

2.1213

2.1795

2.2361

2.2913

2.3452

2.4495

2.5000

2.5000

2.5495

2.5495

2.5981

2.5981

2.6926

2.6926

2 1 0

2.2361

0.4472

0.6324

0.7746

0.8944

1.0000

1.0954

1.2649

1.3416

1.3416

1.4142

1.4832

1.5492

1.6125

1.6733

1.7888

1.8439

1.8439

1.8973

1.8973

1.9493

2.0000

2.0494

2.0976

2.1909

2.2360

2.2360

2.2803

2.2803

2.3238

2.3238

2.4083

2.4083

2 1 1

2.4495

0.4082

0.5773

0.7071

0.8165

0.9129

1.0000

1.1547

1.2247

1.2247

1.2910

1.3540

1.4142

1.4720

1.5275

1.6330

1.6832

1.6832

1.7320

1.7320

1.7795

1.8257

1.8708

1.9148

2.0000

2.0412

2.0412

2.0816

2.0816

2.1213

2.1213

2.1985

2.1985

2 2 0

2.8284

0.3536

0.5000

0.6124

0.7071

0.7906

0.8660

1.0000

1.0607

1.0607

1.1181

1.1726

1.2248

1.2748

1.3229

1.4142

1.4577

1.4577

1.5000

1.5000

1.5411

1.5811

1.6202

1.6583

1.7321

1.7678

1.7678

1.8028

1.8028

1.8372

1.8372

1.9040

1.9040

3 0 0

3.0000

0.3333

0.4714

0.5774

0.6667

0.7454

0.8165

0.9428

1.0000

1.0000

1.0541

1.1055

1.1547

1.2019

1.2472

1.3333

1.3744

1.3744

1.4142

1.4142

1.4530

1.4907

1.5275

1.5635

1.6330

1.6667

1.6667

1.6997

1.6997

1.7321

1.7321

1.7951

1.7951

2 2 1

3.0000

0.3333

0.4714

0.5774

0.6667

0.7454

0.8165

0.9428

1.0000

1.0000

1.0541

1.1055

1.1547

1.2019

1.2472

1.3333

1.3744

1.3744

1.4142

1.4142

1.4530

1.4907

1.5275

1.5635

1.6330

1.6667

1.6667

1.6997

1.6997

1.7321

1.7321

1.7951

1.7951

3 1 0

3.1623

0.3162

0.4472

0.5477

0.6325

0.7071

0.7746

0.8944

0.9487

0.9487

1.0000

1.0488

1.0954

1.1402

1.1832

1.2649

1.3038

1.3038

1.3416

1.3416

1.3784

1.4142

1.4491

1.4832

1.5492

1.5811

1.5811

1.6124

1.6124

1.6432

1.6432

1.7029

1.7029

3 1 1

3.3166

0.3015

0.4264

0.5223

0.6030

0.6742

0.7386

0.8528

0.9045

0.9045

0.9535

1.0000

1.0445

1.0871

1.1282

1.2061

1.2432

1.2432

1.2792

1.2792

1.3143

1.3484

1.3817

1.4142

1.4771

1.5076

1.5076

1.5374

1.5374

1.5667

1.5667

1.6237

1.6237

2 2 2

3.4641

0.2887

0.4082

0.5000

0.5774

0.6455

0.7071

0.8165

0.8660

0.8660

0.9129

0.9574

1.0000

1.0408

1.0801

1.1547

1.1902

1.1902

1.2247

1.2247

1.2583

1.2910

1.3229

1.3540

1.4142

1.4434

1.4434

1.4720

1.4720

1.5000

1.5000

1.5546

1.5546

3 2 0

3.6056

0.2773

0.3922

0.4804

0.5547

0.6202

0.6794

0.7844

0.8320

0.8320

0.8771

0.9198

0.9608

1.0000

1.0377

1.1094

1.1435

1.1435

1.1767

1.1767

1.2089

1.2403

1.2710

1.3009

1.3587

1.3867

1.3867

1.4142

1.4142

1.4411

1.4411

1.4936

1.4936

3 2 1

3.7417

0.2673

0.3780

0.4629

0.5345

0.5976

0.6546

0.7559

0.8018

0.8018

0.8452

0.8864

0.9258

0.9636

1.0000

1.0690

1.1019

1.1019

1.1339

1.1339

1.1650

1.1952

1.2247

1.2535

1.3093

1.3363

1.3363

1.3627

1.3627

1.3887

1.3887

1.4392

1.4392

4 0 0

4.0000

0.2500

0.3536

0.4330

0.5000

0.5590

0.6124

0.7071

0.7500

0.7500

0.7906

0.8292

0.8660

0.9014

0.9354

1.0000

1.0308

1.0308

1.0607

1.0607

1.0897

1.1180

1.1457

1.1726

1.2248

1.2500

1.2500

1.2748

1.2748

1.2991

1.2991

1.3463

1.3463

4 1 0

4.1231

0.2425

0.3430

0.4201

0.4851

0.5423

0.5941

0.6860

0.7276

0.7276

0.7670

0.8044

0.8402

0.8745

0.9075

0.9701

1.0000

1.0000

1.0290

1.0290

1.0572

1.0846

1.1114

1.1376

1.1882

1.2127

1.2127

1.2367

1.2367

1.2603

1.2603

1.3061

1.3061

3 2 2

4.1231

0.2425

0.3430

0.4201

0.4851

0.5423

0.5941

0.6860

0.7276

0.7276

0.7670

0.8044

0.8402

0.8745

0.9075

0.9701

1.0000

1.0000

1.0290

1.0290

1.0572

1.0846

1.1114

1.1376

1.1882

1.2127

1.2127

1.2367

1.2367

1.2603

1.2603

1.3061

1.3061

4 1 1

4.2426

0.2357

0.3333

0.4083

0.4714

0.5271

0.5774

0.6667

0.7071

0.7071

0.7454

0.7817

0.8165

0.8499

0.8819

0.9428

0.9718

0.9718

1.0000

1.0000

1.0274

1.0541

1.0801

1.1055

1.1547

1.1785

1.1785

1.2019

1.2019

1.2248

1.2248

1.2693

1.2693

3 3 0

4.2426

0.2357

0.3333

0.4083

0.4714

0.5271

0.5774

0.6667

0.7071

0.7071

0.7454

0.7817

0.8165

0.8499

0.8819

0.9428

0.9718

0.9718

1.0000

1.0000

1.0274

1.0541

1.0801

1.1055

1.1547

1.1785

1.1785

1.2019

1.2019

1.2248

1.2248

1.2693

1.2693

3 3 1

4.3589

0.2294

0.3244

0.3974

0.4588

0.5130

0.5620

0.6489

0.6882

0.6882

0.7255

0.7609

0.7947

0.8272

0.8584

0.9177

0.9459

0.9459

0.9733

0.9733

1.0000

1.0260

1.0513

1.0761

1.1239

1.1471

1.1471

1.1698

1.1698

1.1921

1.1921

1.2354

1.2354

4 2 0

4.4721

0.2236

0.3162

0.3873

0.4472

0.5000

0.5477

0.6325

0.6708

0.6708

0.7071

0.7416

0.7746

0.8062

0.8367

0.8944

0.9220

0.9220

0.9487

0.9487

0.9747

1.0000

1.0247

1.0488

1.0955

1.1180

1.1180

1.1402

1.1402

1.1619

1.1619

1.2042

1.2042

4 2 1

4.5826

0.2182

0.3086

0.3780

0.4364

0.4880

0.5345

0.6172

0.6547

0.6547

0.6901

0.7237

0.7559

0.7868

0.8165

0.8729

0.8997

0.8997

0.9258

0.9258

0.9512

0.9759

1.0000

1.0235

1.0690

1.0911

1.0911

1.1127

1.1127

1.1339

1.1339

1.1751

1.1751

3 3 2

4.6904

0.2132

0.3015

0.3693

0.4264

0.4767

0.5222

0.6030

0.6396

0.6396

0.6742

0.7071

0.7386

0.7687

0.7977

0.8528

0.8791

0.8791

0.9045

0.9045

0.9293

0.9535

0.9770

1.0000

1.0445

1.0660

1.0660

1.0871

1.0871

1.1078

1.1078

1.1481

1.1481

4 2 2

4.8990

0.2041

0.2887

0.3536

0.4082

0.4564

0.5000

0.5773

0.6124

0.6124

0.6455

0.6770

0.7071

0.7360

0.7638

0.8165

0.8416

0.8416

0.8660

0.8660

0.8898

0.9129

0.9354

0.9574

1.0000

1.0206

1.0206

1.0408

1.0408

1.0607

1.0607

1.0992

1.0992

5 0 0

5.0000

0.2000

0.2828

0.3464

0.4000

0.4472

0.4899

0.5657

0.6000

0.6000

0.6325

0.6633

0.6928

0.7211

0.7483

0.8000

0.8246

0.8246

0.8485

0.8485

0.8718

0.8944

0.9165

0.9381

0.9798

1.0000

1.0000

1.0198

1.0198

1.0392

1.0392

1.0770

1.0770

4 3 0

5.0000

0.2000

0.2828

0.3464

0.4000

0.4472

0.4899

0.5657

0.6000

0.6000

0.6325

0.6633

0.6928

0.7211

0.7483

0.8000

0.8246

0.8246

0.8485

0.8485

0.8718

0.8944

0.9165

0.9381

0.9798

1.0000

1.0000

1.0198

1.0198

1.0392

1.0392

1.0770

1.0770

5 1 0

5.0990

0.1961

0.2773

0.3397

0.3922

0.4385

0.4804

0.5547

0.5884

0.5884

0.6202

0.6504

0.6794

0.7071

0.7338

0.7845

0.8086

0.8086

0.8320

0.8320

0.8549

0.8771

0.8987

0.9199

0.9608

0.9806

0.9806

1.0000

1.0000

1.0191

1.0191

1.0561

1.0561

4 3 1

5.0990

0.1961

0.2773

0.3397

0.3922

0.4385

0.4804

0.5547

0.5884

0.5884

0.6202

0.6504

0.6794

0.7071

0.7338

0.7845

0.8086

0.8086

0.8320

0.8320

0.8549

0.8771

0.8987

0.9199

0.9608

0.9806

0.9806

1.0000

1.0000

1.0191

1.0191

1.0561

1.0561

5 1 1

5.1962

0.1924

0.2722

0.3333

0.3849

0.4303

0.4714

0.5443

0.5773

0.5773

0.6086

0.6383

0.6667

0.6939

0.7201

0.7698

0.7935

0.7935

0.8165

0.8165

0.8389

0.8606

0.8819

0.9027

0.9428

0.9622

0.9622

0.9813

0.9813

1.0000

1.0000

1.0364

1.0364

3 3 3

5.1962

0.1924

0.2722

0.3333

0.3849

0.4303

0.4714

0.5443

0.5773

0.5773

0.6086

0.6383

0.6667

0.6939

0.7201

0.7698

0.7935

0.7935

0.8165

0.8165

0.8389

0.8606

0.8819

0.9027

0.9428

0.9622

0.9622

0.9813

0.9813

1.0000

1.0000

1.0364

1.0364

5 2 0

5.3852

0.1857

0.2626

0.3216

0.3714

0.4152

0.4549

0.5252

0.5571

0.5571

0.5872

0.6159

0.6433

0.6695

0.6948

0.7428

0.7656

0.7656

0.7878

0.7878

0.8094

0.8304

0.8510

0.8710

0.9097

0.9285

0.9285

0.9469

0.9469

0.9649

0.9649

1.0000

1.0000

4 3 2

5.3852

0.1857

0.2626

0.3216

0.3714

0.4152

0.4549

0.5252

0.5571

0.5571

0.5872

0.6159

0.6433

0.6695

0.6948

0.7428

0.7656

0.7656

0.7878

0.7878

0.8094

0.8304

0.8510

0.8710

0.9097

0.9285

0.9285

0.9469

0.9469

0.9649

0.9649

1.0000

1.0000

N1/N2 N2

The Distances in Diffraction Pattern

http://imagej.nih.gov/ij/
R1=503.337/6=83.89

R1

Finite sizes of spots

The distances in diffraction pattern

R2

The distances in diffraction pattern

Work out the ratios
d1 R3

2.518
d 3 R1
d1 R2

2.497
d 2 R1

R3

Systematic absence:
f.c.c: hkl mixed odd and even

d1 (largest spacing): {110}

d2: {222}
d3: {320}
d1 (largest spacing): {111}
d2: {331}
d3: {420}
hkl

211

220

300

221

310

311

222

320

321

400

410

322

411

330

331

420

421

332

100

1.0000

2.4495 2.8284 3.0000 3.0000 3.1623 3.3166 3.4641 3.6056 3.7417 4.0000 4.1231 4.1231 4.2426 4.2426 4.3589 4.4721 4.5826 4.6904

110

1.4142

1.7321 2.0000 2.1213 2.1213 2.2361 2.3452 2.4495 2.5496 2.6458 2.8285 2.9155 2.9155 3.0000 3.0000 3.0822 3.1623 3.2404 3.3166

111

1.7321

1.4142 1.6329 1.7320 1.7320 1.8257 1.9148 1.9999 2.0816 2.1602 2.3093 2.3804 2.3804 2.4494 2.4494 2.5165 2.5819 2.6457 2.7079

Deciding indices
d1 (largest spacing): {111}
d2: {331}
d3: {420}
d3

d2
d1

In the cubic system planes having

the same indices regardless of
order or sign are equivalent
Arbitrarily deciding d1: (111)

Angle between (h1k1l1) and (h2k2l2)

cos

(h1k1l1): (111)

2
1

h1h2 k1k 2 l1l2

k12 l12 h22 k 22 l22

h2 k 2 l2

3 h22 k 22 l22

Measuring the Angles

Angles between the normal of {331} and {111}

h

cos

0.927173

22.01287

-1

0.662266

48.55168

-3

0.132453

82.43041

-3

-1

-0.13245

97.66089

-3

-3

-0.66227

131.5396

-3

-3

-1

-0.92717

158.0784

cos

Note -331, 3-31, -313,.etc give the same result

h2 k2 l2

3 h22 k22 l22

Measuring the Angle

Angle between (h1k1l1) and (h3k3l3)

h

cos

0 0.774597 39.25142

-4

-0.2582 105.0165

-4

-2

-0.7746 140.8399

Deciding indices:Vector Addition

d 2 d3 d1

Possible pairs
d3
d2
d1

111

-d3

(-420)-(-331)

(-402)-(-313)

(2-40)-(3-31)

(20-4)-(31-3)

(0-42)-(1-33)

(02-4)-(13-3)

-331

-313

3-31

31-3

1-33

13-3

-420

111

1-13

7-51

1-1-3

5-53

51-3

-402

13-1

111

1-3-1

71-5

5-31

53-5

2-40

-571

-553

111

15-3

-113

-17-3

20-4

-535

-517

1-35

111

-1-37

-131

0-42

-37-1

-351

31-1

35-5

111

17-5

02-4

-315

-3-17

3-55

3-11

1-57

111

Deciding indices: the other spots

-420

Check Angle

-331
-242

d3
d2
-1-1-1

d1

111

(-420)-(-331)

cos ( 3 31)^ ( 420 )

3 4 3 2 0.9234
9 9 1(16 4)

( 331)^ ( 420 ) 23
Check Vector addition

4-20

(-4, 2, 0) = (-3,3,1) + (-1, -1, -1)

Use vector addition to index the other spots

Deciding Zone Axis

The g vectors belong to the ZOLZ
The zone axis [uvw] all the g vectors

-420
-331
-242
-1-1-1

111

3-3-1

B g1 g 2

B g1 g 2

a b c

1 1

3 3 1

1 3a 3 1b 3 (3) c

2a 4b 6c

[uvw] =[-1 -2 3]
4-20

Is this
confusing?

Uniqueness in indexing DP: other possibilities

180o: g and -g - diffraction from both sides of
the reflecting plane (From one zone)
-420
-33-1

4-20
-242

-1-1-1

4-20

[uvw] =[-1- 23]

3-31
2-4-2

-1-1-1
-33-1

-420

[uvw] =[-1 -2 3]
The same beam direction

Coincidence ambiguity: {hkl} the same inter-planar spacing

Solved by tilt sample

1 1 1

111

111
3-31

B g1 g 2

a b

3 1

1 3a 3 1b 3 3c

2a 4b 6c
3

[uvw] =[-1- 23]

Beam direction: Source of Errors

Uniform intensity: B < 0.5o

Rings of bright spots: B>1o
Nonuniform intensity: B~ 15o
Kikuchi lines: B~0.1o
For high accuracy
Cs
Errors in lattice parameters/beam
energy
Errors in measurement of SADP

B: average for the selected region

Bent, defective
K lines not for deformed/phase
transformations

Sketch Zero Laue Zone

FCC (421)
In the reciprocal space, (421) Intercepts are:
4 (1/4, , 1) = 1,2, 4
100, 020, 004
Consider the plane passing through the origin: lets
move (1,0,0) to the origin
-1,0,0
1,0,0; 0,2,0; 0,0,4
0,0,0; -1,2,0;-1,0,4
For FCC: must be all even/odd numbers
0,0,0; -2,4,0;-2,0,8
The angle between (-2,4,0) and (-2,0,8) is 83o49
Length ratio is

R240
20
1

R208
68 1.844

Simple pattern
low zone axis
Weiss zone law
h1u k1v l1w 0

ZOLZ of the example

Zone axis [-1-23] The plane in the reciprocal space (-1-23)
Intercepts of the plane: (-1,0,0) (0,-1/2,0) (0,0,1/3)
(-6,0,0) (0,-3, 0) (0,0,2)
Move this plane to the origin:

(0,0,0) (6,-3, 0) (6,0,2)

fcc requires: (0,0,0) (12,-6, 0) (6,0,2)

Angle : 32o

(6,-6,-2)

The length ratio: 2.1

(3,-3,-1)
(4,-2,0)
(-2,-2,-2)

(6,0,2)

(-1,-1,-1)
(-6,0,-2)
(1,1,1)

(-3,3,1)

(2,2,2)

(3,3,3)

(12,-6, 0)

Kikuchi Lines

1928 Kikuchi
More accurate than spot for
Specimen orientation
Accessibility of certain
orientation/diffracting vectors
A well-defined tilt axis
Orientation relationship

Kikuchi map: distribution of K lines

A unit triangle of the stereogram
Identify K pattern rapidly, determine B
Tilt sample in a self-consistent manner

Determine the magnitude and sign of

the deviation s
Define the sense of tilt (moves in the
same sense as the crystal)
Small angle tilt can be estimated
Large angular tilts can be measured
Determine crystal symmetry real
crystal symmetry

Kikuchi Lines
The diffraction of electrons which
have been previously inelastically
scattered
Inelastically scattered
Small Energy loss < 50 eV and change
direction
A diffuse halo (small angle)/overall
faint background

The Bragg law (hkl)

Not satisfied for the incident beam
Satisfied for the inelastically scattered
beam
Removed from the T beam: local
reduction in background intensity
Fewer will be diffracted back to the
background (angle distribution)

Cones of radiation
Centre: the sample
Cone I: high intensity; Cone II: low
intensity
Cones attached to the crystal
Move about a radius: 1/
Spots move about : g 1/25
1/
Cones intersect Ewald sphere (
): hyperbolae

Summary
Indexing simple patterns
Diffraction spots
Beam direction
ZOLZ

Kikuchi Lines

Lecture 5
Dynamical Diffraction Theory
Diffraction Contrast

SUPPLEMENTARY

Indexing
For cubic system:

1 h2 k 2 l 2 N

2
d2
a2
a

N: Sum of squares of three integers

bcc: N = 2m; fcc: N=4n; 8n+3

Assume two spots: R1 and R2
Camera Length:

Rd hkl L

d 22 R12 N1

d12 R22 N 2

For Tetragonal system:

1 h2 k 2 l 2
A l2

d2
a2
c2 a2 c2

For l=0: A, 2A must in the series

For Hexagonal system:

1 4 h 2 hk k 2 l 2 4 H l 2

d2 3
a2
c
3 a2 c2

For l=0: H, 3H must in the series

N 4 n 8m 7

Diffraction Sysmtry
Note: All diffraction patters are
Centro-symmetric even
if the crystal is not (Friedels law)

ZnO (Znic Blende structure) cubic reciprocal lattice

layers along [111] direction

l = +1 level

Some ZOLZ patterns thus exhibit

Higher rotational symmetry than
the structure has
0-level

l = -1 level

Indexing: Kikuchi Patterns

B = low zone axis
a high degree of symmetry
Direct comparison: standard patterns

Two features
Kikuchi line spacing Dd = L: no error because of s
Angles between K lines angles between planes

Simple patterns: in the same zone

Identical for spot patterns
B is close to zone axis: T beam away from the
centre of the K pattern
180o ambiguity

Kikuchi Lines: Complex pattern

Three non-parallel line pairs

Kikuchi Maps
Help to eliminate the trial and error stage of
indexing K patterns
Rapidly obtain: B with 2o

Use of diffraction patterns: Basic

Specimen tilting
Orientation relationship determination
Twining
Second phases
Crystallographic information

USE: The fine structures

Extra spots
Spot splitting and satellite spots
Streaks
Diffuse scattering Effects

Indexing: Complicated patterns

Large lattice para
Thin sample: high-order laue zero at the edge of
the pattern
Thin sample: far away from low zone axis
Fragmentary arrays of spots avoid this!
Laue zones: hu+kv+lw = n

Indexing: Imperfect patterns

Spots: from different zero-order Laue zones
Remove ambiguity in indexing

Indexing: Three vectors g1, g2, g3, form a circle

T is inside the circle:
O lying below the plane
Labelled anticlockwise

T is outside
O lying above the plane
Labelled clockwise

Evaluate {hkl}: use camera length

Arbitrarily index on (hkl), label g2, g3 according to the
above rule
Zone axis = g1Xg2
All zone axes: close
Check g1.(g2Xg3)>0
Work out B:
B g g g g g g g g g
2