電子線原子散乱因子

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s = λ/sin(θ) および s2 = s*s とした時 (λは波長、θは回折角)
電子線の原子散乱因子 fe
は5つのガウス関数を足し合わせた近似式
fe = a1*exp(-b1*s2) + a2*exp(-b2*s2) +
a3*exp(-b3*s2) + a4*exp(-b4*s2) + a5*exp(-b5*s2)
で表現することが提案されています(Peng
1996,1998)。

各原子のパラメータを以下に記します。

原子番号

原子記号

Note

a1

b1

a2

b2

a3

b3

a4

b4

a5

b5

1

H

H: HF

0.0349

0.5347

0.1201

3.5867

0.197

12.3471

0.0573

18.9525

0.1195

38.6269

1

H

H1-: HF

0.14

0.984

0.649

8.67

1.37

38.9

0.337

111

0.787

166

2

He

He: RHF

0.0317

0.2507

0.0838

1.4751

0.1526

4.4938

0.1334

12.6646

0.0164

31.1653

3

Li

Li: RHF

0.075

0.3864

0.2249

2.9383

0.5548

15.3829

1.4954

53.5545

0.9354

138.7337

3

Li

Li1+: RHF

0.0046

0.0358

0.0165

0.239

0.0435

0.879

0.0649

2.64

0.027

7.09

4

Be

Be: RHF

0.078

0.3131

0.221

2.2381

0.674

10.1517

1.3867

30.9061

0.6925

78.3273

4

Be

Be2+: RHF

0.0034

0.0267

0.0103

0.162

0.0233

0.531

0.0325

1.48

0.012

3.88

5

B

B: RHF

0.0909

0.2995

0.2551

2.1155

0.7738

8.3816

1.2136

24.1292

0.4606

63.1314

6

C

C: RHF

0.0893

0.2465

0.2563

1.71

0.757

6.4094

1.0487

18.6113

0.3575

50.2523

7

N

N: RHF

0.1022

0.2451

0.3219

1.7481

0.7982

6.1925

0.8197

17.3894

0.1715

48.1431

8

O

O: RHF

0.0974

0.2067

0.2921

1.3815

0.691

4.6943

0.699

12.7105

0.2039

32.4726

8

O

O1-: HF

0.205

0.397

0.628

2.64

1.17

8.8

1.03

27.1

0.29

91.8

8

O

O2-: HF

0.0421

0.0609

0.21

0.559

0.852

2.96

1.82

11.5

1.17

37.7

9

F

F: RHF

0.1083

0.2057

0.3175

1.3439

0.6487

4.2788

0.5846

11.3932

0.1421

28.7881

9

F

F1-: RHF

0.134

0.228

0.391

1.47

0.814

4.68

0.928

13.2

0.347

36

10

Ne

Ne: RHF

0.1269

0.22

0.3535

1.3779

0.5582

4.0203

0.4674

9.4934

0.146

23.1278

11

Na

Na: RHF

0.2142

0.3334

0.6853

2.3446

0.7692

10.083

1.6589

48.3037

1.4482

138.27

11

Na

Na1+: RHF

0.0256

0.0397

0.0919

0.287

0.297

1.18

0.514

3.75

0.199

10.8

12

Mg

Mg: RHF

0.2314

0.3278

0.6866

2.272

0.9677

10.9241

2.1882

39.2898

1.1339

101.9748

12

Mg

Mg2+: HF

0.021

0.0331

0.0672

0.222

0.198

0.838

0.368

2.48

0.174

6.75

13

Al

Al: RHF

0.239

0.3138

0.6573

2.1063

1.2011

10.4163

2.5586

34.4552

1.2312

98.5344

13

Al

Al3+: HF

0.0192

0.0306

0.0579

0.198

0.163

0.713

0.284

2.04

0.114

5.25

14

Si

Si: RHF

0.2519

0.3075

0.6372

2.0174

1.3795

9.6746

2.5082

29.3744

1.05

80.4732

14

Si

Si4+: RHF

0.192

0.359

0.289

1.96

0.1

9.34

-0.0728

11.1

0.0012

13.4

15

P

P: RHF

0.2548

0.2908

0.6106

1.874

1.4541

8.5176

2.3204

24.3434

0.8477

63.2996

16

S

S: RHF

0.2497

0.2681

0.5628

1.6711

1.3899

7.0267

2.1865

19.5377

0.7715

50.3888

17

Cl

Cl: RHF

0.2443

0.2468

0.5397

1.5242

1.3919

6.1537

2.0197

16.6687

0.6621

42.3086

17

Cl

Cl1-: RHF

0.265

0.252

0.596

1.56

1.6

6.21

2.69

17.8

1.23

47.8

18

Ar

Ar: RHF

0.2385

0.2289

0.5017

1.3694

1.3428

5.2561

1.8899

14.0928

0.6079

35.5361

19

K

K: RHF

0.4115

0.3703

1.4031

3.3874

2.2784

13.1029

2.6742

68.9592

2.2162

194.4329

19

K

K1+: RHF

0.199

0.192

0.396

1.1

0.928

3.91

1.45

9.75

0.45

23.4

20

Ca

Ca: RHF

0.4054

0.3499

1.388

3.0991

2.1602

11.9608

3.7532

53.9353

2.2063

142.3892

20

Ca

Ca2+: RHF

0.164

0.157

0.327

0.894

0.743

3.15

1.16

7.67

0.307

17.7

21

Se

Se: RHF

0.3787

0.3133

1.2181

2.5856

2.0594

9.5813

3.2618

41.7688

2.387

116.7282

21

Sc

Sc3+: HF

0.163

0.157

0.307

0.899

0.716

3.06

0.88

7.05

0.139

16.1

22

Ti

Ti: RHF

0.3825

0.304

1.2598

2.4863

2.0008

9.2783

3.0617

39.0751

2.0694

109.4583

22

Ti

Ti2+: HF

0.399

0.376

1.04

2.74

1.21

8.1

-0.0797

14.2

0.352

23.2

22

Ti

Ti3+: HF

0.364

0.364

0.919

2.67

1.35

8.18

-0.933

11.8

0.589

14.9

22

Ti

Ti4+: HF

0.116

0.108

0.256

0.655

0.565

2.38

0.772

5.51

0.132

12.3

23

V

V: RHF

0.3876

0.2967

1.275

2.378

1.9109

8.7981

2.8314

35.9528

1.8979

101.7201

23

V

V2+: RHF

0.317

0.269

0.939

2.09

1.49

7.22

-1.31

15.2

1.47

17.6

23

V

V3+: HF

0.341

0.321

0.805

2.23

0.942

5.99

0.0783

13.4

0.156

16.9

23

V

V5+: HF

0.0367

0.033

0.124

0.222

0.244

0.824

0.723

2.8

0.435

6.7

24

Cr

Cr: RHF

0.4046

0.2986

1.3696

2.3958

1.8941

9.1406

2.08

37.4701

1.2196

113.7121

24

Cr

Cr2+: HF

0.237

0.177

0.634

1.35

1.23

4.3

0.713

12.2

0.0859

39

24

Cr

Cr3+: HF

0.393

0.359

1.05

2.57

1.62

8.68

-1.15

11

0.407

15.8

24

Cr

Cr4+: HF

0.132

0.109

0.292

0.695

0.703

2.39

0.692

5.65

0.0959

14.7

25

Mn

Mn: RHF

0.3796

0.2699

1.2094

2.0455

1.7815

7.4726

2.542

31.0604

1.5937

91.5622

25

Mn

Mn2+: RHF

0.0576

0.0398

0.21

0.284

0.604

1.29

1.32

4.23

0.659

14.5

25

Mn

Mn3+: HF

0.116

0.0117

0.523

0.876

0.881

3.06

0.589

6.44

0.214

14.3

25

Mn

Mn4+: HF

0.381

0.354

1.83

2.72

-1.33

3.47

0.995

5.47

0.0618

16.1

26

Fe

Fe: RHF

0.3946

0.2717

1.2725

2.0443

1.7031

7.6007

2.314

29.9714

1.4795

86.2265

26

Fe

Fe2+: RHF

0.307

0.23

0.838

1.62

1.11

4.87

0.28

10.7

0.277

19.2

26

Fe

Fe3+: RHF

0.198

0.154

0.387

0.893

0.889

2.62

0.709

6.65

0.117

18

27

Co

Co: RHF

0.4118

0.2742

1.3161

2.0372

1.6493

7.7205

2.193

29.968

1.283

84.9383

27

Co

Co2+: RHF

0.213

0.148

0.488

0.939

0.998

2.78

0.828

7.31

0.23

20.7

27

Co

Co3+: HF

0.331

0.267

0.487

1.41

0.729

2.89

0.608

6.45

0.131

15.8

28

Ni

Ni: RHF

0.386

0.2478

1.1765

1.766

1.5451

6.3107

2.073

25.2204

1.3814

74.3146

28

Ni

Ni2+: RHF

0.338

0.237

0.982

1.67

1.32

5.73

-3.56

11.4

3.62

12.1

28

Ni

Ni3+: HF

0.347

0.26

0.877

1.71

0.79

4.75

0.0538

7.51

0.192

13

29

Cu

Cu: RHF

0.4314

0.2694

1.3208

1.9223

1.5236

7.3474

1.4671

28.9892

0.8562

90.6246

29

Cu

Cu1+: RHF

0.312

0.201

0.812

1.31

1.11

3.8

0.794

10.5

0.257

28.2

29

Cu

Cu2+: HF

0.224

0.145

0.544

0.933

0.97

2.69

0.727

7.11

0.182

19.4

30

Zn

Zn: RHF

0.4288

0.2593

1.2646

1.7998

1.4472

6.75

1.8294

25.586

1.0934

73.5284

30

Zn

Zn2+: RHF

0.252

0.161

0.6

1.01

0.917

2.76

0.663

7.08

0.161

19

31

Ga

Ga: RHF

0.4818

0.2825

1.4032

1.9785

1.6561

8.7546

2.4605

32.5238

1.1054

98.5523

31

Ga

Ga3+: HF

0.391

0.264

0.947

1.65

0.69

4.82

0.0709

10.7

0.0653

15.2

32

Ge

Ge: RHF

0.4655

0.2647

1.3014

1.7926

1.6088

7.6071

2.6998

26.5541

1.3003

77.5238

32

Ge

Ge4+: HF

0.346

0.232

0.83

1.45

0.599

4.08

0.0949

13.2

-0.0217

29.5

33

As

As: RHF

0.4517

0.2493

1.2229

1.6436

1.5852

6.8154

2.7958

22.3681

1.2638

62.039

34

Se

Se: RHF

0.4477

0.2405

1.1678

1.5442

1.5843

6.3231

2.8087

19.461

1.1956

52.0233

35

Br

Br: RHF

0.4798

0.2504

1.1948

1.5963

1.8695

6.9653

2.6953

19.8492

0.8203

50.3233

35

Br

Br1-: RHF

0.125

0.053

0.563

0.469

1.43

2.15

3.52

11.1

3.22

38.9

36

Kr

Kr: RHF

0.4546

0.2309

1.0993

1.4279

1.7696

5.9449

2.7068

16.6752

0.8672

42.2243

37

Rb

Rb: RHF

1.016

0.4853

2.8528

5.0925

3.5466

25.7851

-7.7804

130.4515

12.1148

138.6775

37

Rb

Rb1+: RHF

0.368

0.187

0.884

1.12

1.14

3.98

2.26

10.9

0.881

26.6

38

Sr

Sr: RHF

0.6703

0.319

1.4926

2.2287

3.3368

10.3504

4.46

52.3291

3.1501

151.2216

38

Sr

Sr2+: RHF

0.346

0.176

0.804

1.04

0.988

3.59

1.89

9.32

0.609

21.4

39

y

y: *RHF

0.6894

0.3189

1.5474

2.2904

3.245

10.0062

4.2126

44.0771

2.9764

125.012

39

Y

Y2+: *DS

0.465

0.24

0.923

1.43

2.41

6.45

-2.31

9.97

2.48

12.2

40

Zr

Zr: *RHF

0.6719

0.3036

1.4684

2.1249

3.1668

8.9236

3.9557

36.8458

2.892

108.2049

40

Zr

Zr4+: *DS

0.234

0.113

0.642

0.736

0.747

2.54

1.47

6.72

0.377

14.7

41

Nb

Nb: *RHF

0.6123

0.2709

1.2677

1.7683

3.0348

7.2489

3.3841

27.9465

2.3683

98.5624

41

Nb

Nb3+: *DS

0.377

0.184

0.749

1.02

1.29

3.8

1.61

9.44

0.481

25.7

41

Nb

Nb5+: *DS

0.0828

0.0369

0.271

0.261

0.654

0.957

1.24

3.94

0.829

9.44

42

Mo

Mo: *RHF

0.6773

0.292

1.4798

2.0606

3.1788

8.1129

3.0824

30.5336

1.8384

100.0658

42

Mo

Mo3+: *DS

0.401

0.191

0.756

1.06

1.38

3.84

1.58

9.38

0.497

24.6

42

Mo

Mo5+: *DS

0.479

0.241

0.846

1.46

15.6

6.79

-15.2

7.13

1.6

10.4

42

Mo

Mo6+: *DS

0.203

0.0971

0.567

0.647

0.646

2.28

1.16

5.61

0.171

12.4

43

Te

Te: *RHF

0.7082

0.2976

1.6392

2.2106

3.1993

8.5246

3.4327

33.1456

1.8711

96.6377

44

Ru

Ru: *RHF

0.6735

0.2773

1.4934

1.9716

3.0966

7.3249

2.7254

26.6891

1.5597

90.5581

44

Ru

Ru3+: *DS

0.428

0.191

0.773

1.09

1.55

3.82

1.46

9.08

0.486

21.7

44

Ru

Ru4+: *DS

0.282

0.125

0.653

0.753

1.14

2.85

1.53

7.01

0.418

17.5

45

Rh

Rh: *RHF

0.6413

0.258

1.369

1.7721

2.9854

6.3854

2.6952

23.2549

1.5433

85.1517

45

Rh

Rh3+: *DS

0.352

0.151

0.723

0.878

1.5

3.28

1.63

8.16

0.499

20.7

45

Rh

Rh4+: *DS

0.397

0.177

0.725

1.01

1.51

3.62

1.19

8.56

0.251

18.9

46

Pd

Pd: *RHF

0.5904

0.2324

1.1775

1.5019

2.6519

5.1591

2.2875

15.5428

0.8689

46.8213

46

Pd

Pd2+: *DS

0.935

0.393

3.11

4.06

24.6

43.1

-43.6

54

21.1

69.8

46

Pd

Pd4+: *DS

0.348

0.151

0.64

0.832

1.22

2.85

1.45

6.59

0.427

15.6

47

Ag

Ag: RHF

0.6377

0.2466

1.379

1.6974

2.8294

5.7656

2.3631

20.0943

1.4553

76.7372

47

Ag

Ag1+: *DS

0.503

0.199

0.94

1.19

2.17

4.05

1.99

11.3

0.726

32.4

47

Ag

Ag2+: *DS

0.431

0.175

0.756

0.979

1.72

3.3

1.78

8.24

0.526

21.4

48

Cd

Cd: RHF

0.6364

0.2407

1.4247

1.6823

2.7802

5.6588

2.5973

20.7219

1.7886

69.1109

48

Cd

Cd2+: *DS

0.425

0.168

0.745

0.944

1.73

3.14

1.74

7.84

0.487

20.4

49

In

In: RHF

0.6768

0.2522

1.6589

1.8545

2.774

6.2936

3.1835

25.1457

2.1326

84.5448

49

In

In3+: *DS

0.417

0.164

0.755

0.96

1.59

3.08

1.36

7.03

0.451

16.1

50

Sn

Sn: RHF

0.7224

0.2651

1.961

2.0604

2.7161

7.3011

3.5603

27.5493

1.8972

81.3349

50

Sn

Sn2+: RHF

0.797

0.317

2.13

2.51

2.15

9.04

-1.64

24.2

2.72

26.4

50

Sn

Sn4+: RHF

0.261

0.0957

0.642

0.625

1.53

2.51

1.36

6.31

0.177

15.9

51

Sb

Sb: RHF

0.7106

0.2562

1.9247

1.9646

2.6149

6.8852

3.8322

24.7648

1.8899

68.9168

51

Sb

Sb3+: *DS

0.552

0.212

1.14

1.42

1.87

4.21

1.36

12.5

0.414

29

51

Sb

Sb5+: *DS

0.377

0.151

0.588

0.812

1.22

2.4

1.18

5.27

0.244

11.9

52

Te

Te: *RHF

0.6947

0.2459

1.869

1.8542

2.5356

6.4411

4.0013

22.173

1.8955

59.2206

53

I

I: RHF

0.7047

0.2455

1.9484

1.8638

2.594

6.7639

4.1526

21.8007

1.5057

56.4395

53

I

I1+: RHF

0.901

0.312

2.8

2.59

5.61

14.1

-8.69

34.4

12.6

39.5

54

Xe

Xe: RHF

0.6737

0.2305

1.7908

1.689

2.4129

5.8218

4.21

18.3928

1.7058

47.2496

55

Cs

Cs: RHF

1.2704

0.4356

3.8018

4.2058

5.6618

23.4342

0.9205

136.7783

4.8105

171.7561

55

Cs

Cs1+: RHF

0.587

0.2

1.4

1.38

1.87

4.12

3.48

13

1.67

31.8

56

Ba

Ba: RHF

0.9049

0.3066

2.6076

2.4363

4.8498

12.1821

5.1603

54.6135

4.7388

161.9978

56

Ba

Ba2+: *DS

0.733

0.258

2.05

1.96

23

11.8

-152

14.4

134

14.9

57

La

La: *RHF

0.8405

0.2791

2.3863

2.141

4.6139

10.34

5.1514

41.9148

4.7949

132.0204

57

La

La3+: *DS

0.493

0.167

1.1

1.11

1.5

3.11

2.7

9.61

1.08

21.2

58

Ce

Ce: *RHF

0.8551

0.2805

2.3915

2.12

4.5772

10.1808

5.0278

42.0633

4.5118

130.9893

58

Ce

Ce3+: *DS

0.56

0.19

1.35

1.3

1.59

3.93

2.63

10.7

0.706

23.8

58

Ce

Ce4+: *DS

0.483

0.165

1.09

1.1

1.34

3.02

2.45

8.85

0.797

18.8

59

Pr

Pr: *RMF

0.9096

0.2939

2.5313

2.2471

4.5266

10.8266

4.6376

48.8842

4.369

147.602

59

Pr

Pr3+: *DS

0.663

0.226

1.73

1.61

2.35

6.33

0.351

11

1.59

16.9

59

Pr

Pr4+: *DS

0.521

0.177

1.19

1.17

1.33

3.28

2.36

8.94

0.69

19.3

60

Nd

Nd: *RHF

0.8807

0.2802

2.4183

2.0836

4.4448

10.0357

4.6858

47.4506

4.1725

146.9976

60

Nd

Nd3+: *DS

0.501

0.162

1.18

1.08

1.45

3.06

2.53

8.8

0.92

19.6

61

Pm

Pm: *RHF

0.9471

0.2977

2.5463

2.2276

4.3523

10.5762

4.4789

49.3619

3.908

145.358

61

Pm

Pm3+: *DS

0.496

0.156

1.2

1.05

1.47

3.07

2.43

8.56

0.943

19.2

62

Srn

Srn: *RHF

0.9699

0.3003

2.5837

2.2447

4.2778

10.6487

4.4575

50.7994

3.5985

146.4179

62

Sm

Sm3+: *DS

0.518

0.163

1.24

1.08

1.43

3.11

2.4

8.52

0.781

19.1

63

Eu

Eu: RHF

0.8694

0.2653

2.2413

1.859

3.9196

8.3998

3.9694

36.7397

4.5498

125.7089

63

Eu

Eu2+: *DS

0.613

0.19

1.53

1.27

1.84

4.18

2.46

10.7

0.714

26.2

63

Eu

Eu3+: *DS

0.496

0.152

1.21

1.01

1.45

2.95

2.36

8.18

0.774

18.5

64

Gd

Gd: *RHF

0.9673

0.2909

2.4702

2.1014

4.1148

9.7067

4.4972

43.427

3.2099

125.9474

64

Gd

Gd3+: *DS

0.49

0.148

1.19

0.974

1.42

2.81

2.3

7.78

0.795

17.7

65

Tb

Tb: *RHF

0.9325

0.2761

2.3673

1.9511

3.8791

8.9296

3.9674

41.5937

3.7996

131.0122

65

Tb

Tb3+: *DS

0.503

0.15

1.22

0.982

1.42

2.86

2.24

7.77

0.71

17.7

66

Dy

Dy: *RHF

0.9505

0.2773

2.3705

1.9469

3.8218

8.8862

4.0471

43.0938

3.4451

133.1396

66

Dy

Dy3+: *DS

0.503

0.148

1.24

0.97

1.44

2.88

2.17

7.73

0.643

17.6

67

Ho

Ho: *RHF

0.9248

0.266

2.2428

1.8183

3.6182

7.9655

3.791

33.1129

3.7912

101.8139

67

Ho

Ho3+: *DS

0.456

0.129

1.17

0.869

1.43

2.61

2.15

7.24

0.692

16.7

68

Er

Er: *RHF

1.0373

0.2944

2.4824

2.0797

3.6558

9.4156

3.8925

45.8056

3.0056

132.772

68

Er

Er3+: *DS

0.522

0.15

1.28

0.964

1.46

2.93

2.05

7.72

0.508

17.8

69

Tm

Tm: *RHF

1.0075

0.2816

2.3787

1.9486

3.544

8.7162

3.6932

41.842

3.1759

125.032

69

Tm

Tm3+: *DS

0.475

0.132

1.2

0.864

1.42

2.6

2.05

7.09

0.584

16.6

70

Yb

Yb: *RHF

1.0347

0.2855

2.3911

1.9679

3.4619

8.7619

3.6556

42.3304

3.0052

125.6499

70

Yb

Yb2+: *DS

0.508

0.136

1.37

0.922

1.76

3.12

2.23

8.72

0.584

23.7

70

Yb

Yb3+: *DS

0.498

0.138

1.22

0.881

1.39

2.63

1.97

6.99

0.559

16.3

71

Lu

Lu: *RHF

0.9927

0.2701

2.2436

1.8073

3.3554

7.8112

3.7813

34.4849

3.0994

103.3526

71

Lu

Lu3+: *DS

0.483

0.131

1.21

0.845

1.41

2.57

1.94

6.88

0.522

16.2

72

Hf

Hf: *RHF

1.0295

0.2761

2.2911

1.8625

3.411

8.0961

3.9497

34.2712

2.4925

98.5295

72

Hf

Hf4+: *DS

0.522

0.145

1.22

0.896

1.37

2.74

1.68

6.91

0.312

16.1

73

Ta

Ta: *RHF

1.019

0.2694

2.2291

1.7962

3.4097

7.6944

3.9252

31.0942

2.2679

91.1089

73

Ta

Ta5+: *DS

0.569

0.161

1.26

0.972

0.979

2.76

1.29

5.4

0.551

10.9

74

W

W: *RHF

0.9853

0.2569

2.1167

1.6745

3.357

7.0098

3.7981

26.9234

2.2798

81.391

74

W

W6+: *DS

0.181

0.0118

0.873

0.442

1.18

1.52

1.48

4.35

0.562

9.42

75

Re

Re: *RHF

0.9914

0.2548

2.0858

1.6518

3.4531

6.8845

3.8812

26.7234

1.8526

81.7215

76

Os

Os: *RHF

0.9813

0.2487

2.0322

1.5973

3.3665

6.4737

3.6235

23.2817

1.9741

70.9254

76

Os

Os4+: *DS

0.586

0.155

1.31

0.938

1.63

3.19

1.71

7.84

0.54

19.3

77

Ir

Ir: *RHF

1.0194

0.2554

2.0645

1.6475

3.4425

6.5966

3.4914

23.2269

1.6976

70.0272

77

Ir

Ir3+: *DS

0.692

0.182

1.37

1.04

1.8

3.47

1.97

8.51

0.804

21.2

77

Ir

Ir4+: *DS

0.653

0.174

1.29

0.992

1.5

3.14

1.74

7.22

0.683

17.2

78

Pt

Pt: *RHF

0.9148

0.2263

1.8096

1.3813

3.2134

5.3243

3.2953

17.5987

1.5754

60.0171

78

Pt

Pt2+: *DS

0.872

0.223

1.68

1.35

2.63

4.99

1.93

13.6

0.475

33

78

Pt

Pt4+: *DS

0.55

0.142

1.21

0.833

1.62

2.81

1.95

7.21

0.61

17.7

79

Au

Au: RHF

0.9674

0.2358

1.8916

1.4712

3.3993

5.6758

3.0524

18.7119

1.2607

61.5286

79

Au

Au1+: *DS

0.811

0.201

1.57

1.18

2.63

4.25

2.68

12.1

0.998

34.4

79

Au

Au3+: *DS

0.722

0.184

1.39

1.06

1.94

3.58

1.94

8.56

0.699

20.4

80

Hg

Hg: RHF

1.0033

0.2413

1.9469

1.5298

3.4396

5.8009

3.1548

19.452

1.418

60.5753

80

Hg

Hg1+: *DS

0.796

0.194

1.56

1.14

2.72

4.21

2.76

12.4

1.18

36.2

80

Hg

Hg2+: *DS

0.773

0.191

1.49

1.12

2.45

4

2.23

10.8

0.57

27.6

81

TI

TI: *RHF

1.0689

0.254

2.1038

1.6715

3.6039

6.3509

3.4927

23.1531

1.8283

78.7099

81

Tl

Tl1+: *DS

0.82

0.197

1.57

1.16

2.78

4.23

2.82

12.7

1.31

35.7

81

Tl

Tl3+: *DS

0.836

0.208

1.43

1.2

0.394

2.57

2.51

4.86

1.5

13.5

82

Pb

Pb: RHF

1.0891

0.2552

2.1867

1.7174

3.616

6.5131

3.8031

23.917

1.8994

74.7039

82

Pb

Pb2+: *DS

0.755

0.181

1.44

1.05

2.48

3.75

2.45

10.6

1.03

27.9

82

Pb

Pb4+: *DS

0.583

0.144

1.14

0.796

1.6

2.58

2.06

6.22

0.662

14.8

83

Bi

Bi: RHF

1.1007

0.2546

2.2306

1.7351

3.5689

6.4948

4.1549

23.6464

2.0382

70.378

83

Bi

Bi3+: *DS

0.708

0.17

1.35

0.981

2.28

3.44

2.18

9.41

0.797

23.7

83

Bi

Bi5+: *DS

0.654

0.162

1.18

0.905

1.25

2.68

1.66

5.14

0.778

11.2

84

Po

Po: *RHF

1.1568

0.2648

2.4353

1.8786

3.6459

7.1749

4.4064

25.1766

1.7179

69.2821

85

At

At: *RHF

1.0909

0.2466

2.1976

1.6707

3.3831

6.0197

4.67

20.7657

2.1277

57.2663

86

Rn

Rn: RHF

1.0756

0.2402

2.163

1.6169

3.3178

5.7644

4.8852

19.4568

2.0489

52.5009

87

Fr

Fr: *RHF

1.4282

0.3183

3.5081

2.6889

5.6767

13.4816

4.1964

54.3866

3.8946

200.8321

88

Ra

Ra: *RHF

1.3127

0.2887

3.1243

2.2897

5.2988

10.8276

5.3891

43.5389

5.4133

145.6109

88

Ra

Ra2+: *DS

0.911

0.204

1.65

1.26

2.53

4.03

3.62

12.6

1.58

30

89

Ac

Ac: *RHF

1.3128

0.2861

3.1021

2.2509

5.3385

10.5287

5.9611

41.7796

4.7562

128.2973

89

Ac

Ac3+: *DS

0.915

0.205

1.64

1.28

2.26

3.92

3.18

11.3

1.25

25.1

90

Th

Th: *RHF

1.2553

0.2701

2.9178

2.0636

5.0862

9.3051

6.1206

34.5977

4.7122

107.92

91

Pa

Pa: *RHF

1.3218

0.2827

3.1444

2.225

5.4371

10.2454

5.6444

41.1162

4.0107

124.4449

92

U

U: RHF

1.3382

0.2838

3.2043

2.2452

5.4558

10.2519

5.4839

41.7251

3.6342

124.9023

92

U

U3+: *DS

1.14

0.25

2.48

1.84

3.61

7.39

1.13

18

0.9

22.7

92

U

U4+: *DS

1.09

0.243

2.32

1.75

12

7.79

-9.11

8.31

2.15

16.5

92

U

U6+: *DS

0.687

0.154

1.14

0.861

1.83

2.58

2.53

7.7

0.957

15.9

93

Np

Np: *RHF

1.5193

0.3213

4.0053

2.8206

6.5327

14.8878

-0.1402

68.9103

6.7489

81.7257

94

Pu

Pu: *RHF

1.3517

0.2813

3.2937

2.2418

5.3213

9.9952

4.6466

42.7939

3.5714

132.1739

95

Am

Am: *RHF

1.2135

0.2483

2.7962

1.8437

4.7545

7.5421

4.5731

29.3841

4.4786

112.4579

96

Cm

Cm: *RHF

1.2937

0.2638

3.11

2.0341

5.0393

8.7101

4.7546

35.2992

3.5031

109.4972

97

Bk

Bk: *RHF

1.2915

0.2611

3.1023

2.0023

4.9309

8.4377

4.6009

34.1559

3.4661

105.8911

98

Cf

Cf: *RHF

1.2089

0.2421

2.7391

1.7487

4.3482

6.7262

4.0047

23.2153

4.6497

80.3108