X線原子散乱因子

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特性X線波長

2008-01-21

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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)
X線の原子散乱因子 fx
は5つのガウス関数を足し合わせた近似式
fx = a1*exp(-b1*s2) + a2*exp(-b2*s2) +
a3*exp(-b3*s2) + a4*exp(-b4*s2) + c
で表現することが提案されています。

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

c

1

H

H:

0.493002

10.5109

0.322912

26.1257

0.140191

3.14236

0.04081

57.7997

0.003038

1

H

H1-: HF

0.897661

53.1368

0.565616

15.187

0.415815

186.576

0.116973

3.56709

0.002389

2

He

He: RHF

0.8734

9.1037

0.6309

3.3568

0.3112

22.9276

0.178

0.9821

0.0064

3

Li

Li: RHF

1.1282

3.9546

0.7508

1.0524

0.6175

85.3905

0.4653

168.261

0.0377

3

Li

Li1+: RHF

0.6968

4.6237

0.7888

1.9557

0.3414

0.6316

0.1563

10.0953

0.0167

4

Be

Be: RHF

1.5919

43.6427

1.1278

1.8623

0.5391

103.483

0.7029

0.542

0.0385

4

Be

Be2+: RHF

6.2603

0.0027

0.8849

0.8313

0.7993

2.2758

0.1647

5.1146

-6.1092

5

B

B: RHF

2.0545

23.2185

1.3326

1.021

1.0979

60.3498

0.7068

0.1403

-0.1932

6

C

C: RHF

2.31

20.8439

1.02

10.2075

1.5886

0.5687

0.865

51.6512

0.2156

6

C

C val: HF

2.26069

22.6907

1.56165

0.656665

1.05075

9.75618

0.839259

55.5949

0.286977

7

N

N: RHF

12.2126

0.0057

3.1322

9.8933

2.0125

28.9975

1.1663

0.5826

-11.529

8

O

O: RHF

3.0485

13.2771

2.2868

5.7011

1.5463

0.3239

0.867

32.9089

0.2508

8

O

O1-: HF

4.1916

12.8573

1.63969

4.17236

1.52673

47.0179

-20.307

-0.01404

21.9412

9

F

F: RHF

3.5392

10.2825

2.6412

4.2944

1.517

0.2615

1.0243

26.1476

0.2776

9

F

F1-: HF

3.6322

5.27756

3.51057

14.7353

1.26064

0.442258

0.940706

47.3437

0.653396

10

Ne

Ne: RHF

3.9553

8.4042

3.1125

3.4262

1.4546

0.2306

1.1251

21.7184

0.3515

11

Na

Na: RHF

4.7626

3.285

3.1736

8.8422

1.2674

0.3136

1.1128

129.424

0.676

11

Na

Na1+: RHF

3.2565

2.6671

3.9362

6.1153

1.3998

0.2001

1.0032

14.039

0.404

12

Mg

Mg: RHF

5.4204

2.8275

2.1735

79.2611

1.2269

0.3808

2.3073

7.1937

0.8584

12

Mg

Mg2+: RHF

3.4988

2.1676

3.8378

4.7542

1.3284

0.185

0.8497

10.1411

0.4853

13

Al

Al: RHF

6.4202

3.0387

1.9002

0.7426

1.5936

31.5472

1.9646

85.0886

1.1151

13

Al

Al3+: HF

4.17448

1.93816

3.3876

4.14553

1.20296

0.228753

0.528137

8.28524

0.706786

14

Si

Si: RHF

6.2915

2.4386

3.0353

32.3337

1.9891

0.6785

1.541

81.6937

1.1407

14

Si

Si4+: HF

4.43918

1.64167

3.20345

3.43757

1.19453

0.2149

0.41653

6.65365

0.746297

14

Si

Si val: HF

5.66269

2.6652

3.07164

38.6634

2.62446

0.916946

1.3932

93.5458

1.24707

15

P

P: RHF

6.4345

1.9067

4.1791

27.157

1.78

0.526

1.4908

68.1645

1.1149

16

S

S: RHF

6.9053

1.4679

5.2034

22.2151

1.4379

0.2536

1.5863

56.172

0.8669

17

Cl

Cl: RHF

11.4604

0.0104

7.1964

1.1662

6.2556

18.5194

1.6455

47.7784

-9.5574

17

Cl

Cl1-: RHF

18.2915

0.0066

7.2084

1.1717

6.5337

19.5424

2.3386

60.4486

-16.378

18

Ar

Ar: RHF

7.4845

0.9072

6.7723

14.8407

0.6539

43.8983

1.6442

33.3929

1.4445

19

K

K: RHF

8.2186

12.7949

7.4398

0.7748

1.0519

213.187

0.8659

41.6841

1.4228

19

K

K1+: RHF

7.9578

12.6331

7.4917

0.7674

6.359

-0.002

1.1915

31.9128

-4.9978

20

Ca

Ca: RHF

8.6266

10.4421

7.3873

0.6599

1.5899

85.7484

1.0211

178.437

1.3751

20

Ca

Ca2+: RHF

15.6348

-0.0074

7.9518

0.6089

8.4372

10.3116

0.8537

25.9905

-14.875

21

Sc

Sc: RHF

9.189

9.0213

7.3679

0.5729

1.6409

136.108

1.468

51.3531

1.3329

21

Sc

Sc3+: HF

13.4008

0.29854

8.0273

7.9629

1.65943

-0.28604

1.57936

16.0662

-6.6667

22

Ti

Ti:

9.7595

7.8508

7.3558

0.5

1.6991

35.6338

1.9021

116.105

1.2807

22

Ti

Ti2+: HF

9.11423

7.5243

7.62174

0.457585

2.2793

19.5361

0.087899

61.6558

0.897155

22

Ti

Ti3+: HF

17.7344

0.22061

8.73816

7.04716

5.25691

-0.15762

1.92134

15.9768

-14.652

22

Ti

Ti4+: HF

19.5114

0.178847

8.23473

6.67018

2.01341

-0.29263

1.5208

12.9464

-13.28

23

V

V: RHF

10.2971

6.8657

7.3511

0.4385

2.0703

26.8938

2.0571

102.478

1.2199

23

V

V2+: RHF

10.106

6.8818

7.3541

0.4409

2.2884

20.3004

0.0223

115.122

1.2298

23

V

V3+: HF

9.43141

6.39535

7.7419

0.383349

2.15343

15.1908

0.016865

63.969

0.656565

23

V

V5+: HF

15.6887

0.679003

8.14208

5.40135

2.03081

9.97278

-9.576

0.940464

1.7143

24

Cr

Cr: RHF

10.6406

6.1038

7.3537

0.392

3.324

20.2626

1.4922

98.7399

1.1832

24

Cr

Cr2+: HF

9.54034

5.66078

7.7509

0.344261

3.58274

13.3075

0.509107

32.4224

0.616898

24

Cr

Cr3+: HF

9.6809

5.59463

7.81136

0.334393

2.87603

12.8288

0.113575

32.8761

0.518275

25

Mn

Mn: RHF

11.2819

5.3409

7.3573

0.3432

3.0193

17.8674

2.2441

83.7543

1.0896

25

Mn

Mn2+: RHF

10.8061

5.2796

7.362

0.3435

3.5268

14.343

0.2184

41.3235

1.0874

25

Mn

Mn3+: HF

9.84521

4.91797

7.87194

0.294393

3.56531

10.8171

0.323613

24.1281

0.393974

25

Mn

Mn4+: HF

9.96253

4.8485

7.97057

0.283303

2.76067

10.4852

0.054447

27.573

0.251877

26

Fe

Fe: RHF

11.7695

4.7611

7.3573

0.3072

3.5222

15.3535

2.3045

76.8805

1.0369

26

Fe

Fe2+: RHF

11.0424

4.6538

7.374

0.3053

4.1346

12.0546

0.4399

31.2809

1.0097

26

Fe

Fe3+: RHF

11.1764

4.6147

7.3863

0.3005

3.3948

11.6729

0.0724

38.5566

0.9707

27

Co

Co: RHF

12.2841

4.2791

7.3409

0.2784

4.0034

13.5359

2.3488

71.1692

1.0118

27

Co

Co2+: RHF

11.2296

4.1231

7.3883

0.2726

4.7393

10.2443

0.7108

25.6466

0.9324

27

Co

Co3+: HF

10.338

3.90969

7.88173

0.238668

4.76795

8.35583

0.725591

18.3491

118.349

28

Ni

Ni: RHF

12.8376

3.8785

7.292

0.2565

4.4438

12.1763

2.38

66.3421

1.0341

28

Ni

Ni2+: RHF

11.4166

3.6766

7.4005

0.2449

5.3442

8.873

0.9773

22.1626

0.8614

28

Ni

Ni3+: HF

10.7806

3.5477

7.75868

0.22314

5.22746

7.64468

0.847114

16.9673

0.386044

29

Cu

Cu: RHF

13.338

3.5828

7.1676

0.247

5.6158

11.3966

1.6735

64.8126

1.191

29

Cu

Cu1+: RHF

11.9475

3.3669

7.3573

0.2274

6.2455

8.6625

1.5578

25.8487

0.89

29

Cu

Cu2+: HF

11.8168

3.37484

7.11181

0.244078

5.78135

7.9876

1.14523

19.897

1.14431

30

Zn

Zn: RHF

14.0743

3.2655

7.0318

0.2333

5.1652

10.3163

2.41

58.7097

1.3041

30

Zn

Zn2+: RHF

11.9719

2.9946

7.3862

0.2031

6.4668

7.0826

1.394

18.0995

0.7807

31

Ga

Ga: RHF

15.2354

3.0669

6.7006

0.2412

4.3591

10.7805

2.9623

61.4135

1.7189

31

Ga

Ga3+: HF

12.692

2.81262

6.69883

0.22789

6.06692

6.36441

1.0066

14.4122

1.53545

32

Ge

Ge: RHF

16.0816

2.8509

6.3747

0.2516

3.7068

11.4468

3.683

54.7625

2.1313

32

Ge

Ge4+: HF

12.9172

2.53718

6.70003

0.205855

6.06791

5.47913

0.859041

11.603

1.45572

33

As

As: RHF

16.6723

2.6345

6.0701

0.2647

3.4313

12.9479

4.2779

47.7972

2.531

34

Se

Se: RHF

17.0006

2.4098

5.8196

0.2726

3.9731

15.2372

4.3543

43.8163

2.8409

35

Br

Br: RHF

17.1789

2.1723

5.2358

16.5796

5.6377

0.2609

3.9851

41.4328

2.9557

35

Br

Br1-: RHF

17.1718

2.2059

6.3338

19.3345

5.5754

0.2871

3.7272

58.1535

3.1776

36

Kr

Kr: RHF

17.3555

1.9384

6.7286

16.5623

5.5493

0.2261

3.5375

39.3972

2.825

37

Rb

Rb: RHF

17.1784

1.7888

9.6435

17.3151

5.1399

0.2748

1.5292

164.934

3.4873

37

Rb

Rb1+: RHF

17.5816

1.7139

7.6598

14.7957

5.8981

0.1603

2.7817

31.2087

2.0782

38

Sr

Sr: RHF

17.5663

1.5564

9.8184

14.0988

5.422

0.1664

2.6694

132.376

2.5064

38

Sr

Sr2+: RHF

18.0874

1.4907

8.1373

12.6963

2.5654

24.5651

-34.193

-0.0138

41.4025

39

Y

Y: *RHF

17.776

1.4029

10.2946

12.8006

5.72629

0.125599

3.26588

104.354

1.91213

39

Y

Y3+: *DS

17.9268

1.35417

9.1531

11.2145

1.76795

22.6599

-33.108

-0.01319

40.2602

40

Zr

Zr: *RHF

17.8765

1.27618

10.948

11.916

5.41732

0.117622

3.65721

87.6627

2.06929

40

Zr

Zr4+: *DS

18.1668

1.2148

10.0562

10.1483

1.01118

21.6054

-2.6479

-0.10276

9.41454

41

Nb

Nb: *RHF

17.6142

1.18865

12.0144

11.766

4.04183

0.204785

3.53346

69.7957

3.75591

41

Nb

Nb3+: *DS

19.8812

0.019175

18.0653

1.13305

11.0177

10.1621

1.94715

28.3389

-12.912

41

Nb

Nb5+: *DS

17.9163

1.12446

13.3417

0.028781

10.799

9.28206

0.337905

25.7228

-6.3934

42

Mo

Mo: RHF

3.7025

0.2772

17.2356

1.0958

12.8876

11.004

3.7429

61.6584

4.3875

42

Mo

Mo3+: *DS

21.1664

0.014734

18.2017

1.03031

11.7423

9.53659

2.30951

26.6307

-14.421

42

Mo

Mo5+: *DS

21.0149

0.014345

18.0992

1.02238

11.4632

8.78809

0.740625

23.3452

-14.316

42

Mo

Mo6+: *DS

17.8871

1.03649

11.175

8.48061

6.57891

0.058881

0

0

0.344941

43

Tc

Tc: *RHF

19.1301

0.864132

11.0948

8.14487

4.64901

21.5707

2.71263

86.8472

5.40428

44

Ru

Ru: *RHF

19.2674

0.80852

12.9182

8.43467

4.86337

24.7997

1.56756

94.2928

5.37874

44

Ru

Ru3+: *DS

18.5638

0.847329

13.2885

8.37164

9.32602

0.017662

3.00964

22.887

-3.1892

44

Ru

Ru4+: *DS

18.5003

0.844582

13.1787

8.12534

4.71304

0.036495

2.18535

20.8504

1.42357

45

Rh

Rh: *RHF

19.2957

0.751536

14.3501

8.21758

4.73425

25.8749

1.28918

98.6062

5.328

45

Rh

Rh3+: *DS

18.8785

0.764252

14.1259

7.84438

3.32515

21.2487

-6.1989

-0.01036

11.8678

45

Rh

Rh4+: *DS

18.8545

0.760825

13.9806

7.62436

2.53464

19.3317

-5.6526

-0.0102

11.2835

46

Pd

Pd: *RHF

19.3319

0.698655

15.5017

7.98929

5.29537

25.2052

0.605844

76.8986

5.26593

46

Pd

Pd2+: *DS

19.1701

0.696219

15.2096

7.55573

4.32234

22.5057

0

0

5.2916

46

Pd

Pd4+: *DS

19.2493

0.683839

14.79

7.14833

2.89289

17.9144

-7.9492

0.005127

13.0174

47

Ag

Ag: RHF

19.2808

0.6446

16.6885

7.4726

4.8045

24.6605

1.0463

99.8156

5.179

47

Ag

Ag1+: *DS

19.1812

0.646179

15.9719

7.19123

5.27475

21.7326

0.357534

66.1147

5.21572

47

Ag

Ag2+: *DS

19.1643

0.645643

16.2456

7.18544

4.3709

21.4072

0

0

5.21404

48

Cd

Cd: RHF

19.2214

0.5946

17.6444

6.9089

4.461

24.7008

1.6029

87.4825

5.0694

48

Cd

Cd2+: *DS

19.1514

0.597922

17.2535

6.80639

4.47128

20.2521

0

0

5.11937

49

In

In: RHF

19.1624

0.5476

18.5596

6.3776

4.2948

25.8499

2.0396

92.8029

4.9391

49

In

In3+: *DS

19.1045

0.551522

18.1108

6.3247

3.78897

17.3595

0

0

4.99635

50

Sn

Sn: RHF

19.1889

5.8303

19.1005

0.5031

4.4585

26.8909

2.4663

83.9571

4.7821

50

Sn

Sn2+: RHF

19.1094

0.5036

19.0548

5.8378

4.5648

23.3752

0.487

62.2061

4.7861

50

Sn

Sn4+: RHF

18.9333

5.764

19.7131

0.4655

3.4182

14.0049

0.0193

-0.7583

3.9182

51

Sb

Sb: RHF

19.6418

5.3034

19.0455

0.4607

5.0371

27.9074

2.6827

75.2825

4.5909

51

Sb

Sb3+: *DS

18.9755

0.467196

18.933

5.22126

5.10789

19.5902

0.288753

55.5113

4.69626

51

Sb

Sb5+: *DS

19.8685

5.44853

19.0302

0.467973

2.41253

14.1259

0

0

4.69263

52

Te

Te: *RHF

19.9644

4.81742

19.0138

0.420885

6.14487

28.5284

2.5239

70.8403

4.352

53

I

I: RHF

20.1472

4.347

18.9949

0.3814

7.5138

27.766

2.2735

66.8776

4.0712

53

I

I1-: RHF

20.2332

4.3579

18.997

0.3815

7.8069

29.5259

2.8868

84.9304

4.0714

54

Xe

Xe: RHF

20.2933

3.9282

19.0298

0.344

8.9767

26.4659

1.99

64.2658

3.7118

55

Cs

Cs: RHF

20.3892

3.569

19.1062

0.3107

10.662

24.3879

1.4953

213.904

3.3352

55

Cs

Cs1+: RHF

20.3524

3.552

19.1278

0.3086

10.2821

23.7128

0.9615

59.4565

3.2791

56

Ba

Ba: RHF

20.3361

3.216

19.297

0.2756

10.888

20.2073

2.6959

167.202

2.7731

56

Ba

Ba2+: *DS

20.1807

3.21367

19.1136

0.28331

10.9054

20.0558

0.773634

51.746

3.02902

57

La

La: *RHF

20.578

2.94817

19.599

0.244475

11.3727

18.7726

3.28719

133.124

2.14678

57

La

La3+: *DS

20.2489

2.9207

19.3763

0.250698

11.6323

17.8211

0.336048

54.9453

2.4086

58

Ce

Ce: *RHF

21.1671

2.81219

19.7695

0.226836

11.8513

17.6083

3.33049

127.113

1.86264

58

Ce

Ce3+: *DS

20.8036

2.77691

19.559

0.23154

11.9369

16.5408

0.612376

43.1692

2.09013

58

Ce

Ce4+: *DS

20.3235

2.65941

19.8186

0.21885

12.1233

15.7992

0.144583

62.2355

1.5918

59

Pr

Pr: *RHF

22.044

2.77393

19.6697

0.222087

12.3856

16.7669

2.82428

143.644

2.0583

59

Pr

Pr3+: *DS

21.3727

2.6452

19.7491

0.214299

12.1329

15.323

0.97518

36.4065

1.77132

59

Pr

Pr4+: *DS

20.9413

2.54467

20.0539

0.202481

12.4668

14.8137

0.296689

45.4643

1.24285

60

Nd

Nd: *RHF

22.6845

2.66248

19.6847

0.210628

12.774

15.885

2.85137

137.903

1.98486

60

Nd

Nd3+: *DS

21.961

2.52722

19.9339

0.199237

12.12

14.1783

1.51031

30.8717

1.47588

61

Pm

Pm: *RHF

23.3405

2.5627

19.6095

0.202088

13.1235

15.1009

2.87516

132.721

2.02876

61

Pm

Pm3+: *DS

22.5527

2.4174

20.1108

0.185769

12.0671

13.1275

2.07492

27.4491

1.19499

62

Sm

Sm: *RHF

24.0042

2.47274

19.4258

0.196451

13.4396

14.3996

2.89604

128.007

2.20963

62

Sm

Sm3+: *DS

23.1504

2.31641

20.2599

0.174081

11.9202

12.1571

2.71488

24.8242

0.954586

63

Eu

Eu: RHF

24.6274

2.3879

19.0886

0.1942

13.7603

13.7546

2.9227

123.174

2.5745

63

Eu

Eu2+: *DS

24.0063

2.27783

19.9504

0.17353

11.8034

11.6096

3.87243

26.5156

1.36389

63

Eu

Eu3+: *DS

23.7497

2.22258

20.3745

0.16394

11.8509

11.311

3.26503

22.9966

0.759344

64

Gd

Gd: *RHF

25.0709

2.25341

19.0798

0.181951

13.8518

12.9331

3.54545

101.398

2.4196

64

Gd

Gd3+: *DS

24.3466

2.13553

20.4208

0.155525

11.8708

10.5782

3.7149

21.7029

0.645089

65

Tb

Tb: *RHF

25.8976

2.24256

18.2185

0.196143

14.3167

12.6648

2.95354

115.362

3.58324

65

Tb

Tb3+: *DS

24.9559

2.05601

20.3271

0.149525

12.2471

10.0499

3.773

21.2773

0.691967

66

Dy

Dy: *RHF

26.507

2.1802

17.6383

0.202172

14.5596

12.1899

2.96577

111.874

4.29728

66

Dy

Dy3+: *DS

25.5395

1.9804

20.2861

0.143384

11.9812

9.34972

4.50073

19.581

0.68969

67

Ho

Ho: *RHF

26.9049

2.07051

17.294

0.19794

14.5583

11.4407

3.63837

92.6566

4.56796

67

Ho

Ho3+: *DS

26.1296

1.91072

20.0994

0.139358

11.9788

8.80018

4.93676

18.5908

0.852795

68

Er

Er: *RHF

27.6563

2.07356

16.4285

0.223545

14.9779

11.3604

2.98233

105.703

5.92046

68

Er

Er3+: *DS

26.722

1.84659

19.7748

0.13729

12.1506

8.36225

5.17379

17.8974

1.17613

69

Tm

Tm: *RHF

28.1819

2.02859

15.8851

0.238849

15.1542

10.9975

2.98706

102.961

6.75621

69

Tm

Tm3+: *DS

27.3083

1.78711

19.332

0.136974

12.3339

7.96778

5.38348

17.2922

1.63929

70

Yb

Yb: *RHF

28.6641

1.9889

15.4345

0.257119

15.3087

10.6647

2.98963

100.417

7.56672

70

Yb

Yb2+: *DS

28.1209

1.78503

17.6817

0.15997

13.3335

8.18304

5.14657

20.39

3.70983

70

Yb

Yb3+: *DS

27.8917

1.73272

18.7614

0.13879

12.6072

7.64412

5.47647

16.8153

2.26001

71

Lu

Lu: *RHF

28.9476

1.90182

15.2208

9.98519

15.1

0.261033

3.71601

84.3298

7.97628

71

Lu

Lu3+: *DS

28.4628

1.68216

18.121

0.142292

12.8429

7.33727

5.59415

16.3535

2.97573

72

Hf

Hf: *RHF

29.144

1.83262

15.1726

9.5999

14.7586

0.275116

4.30013

72.029

8.58154

72

Hf

Hf4+: *DS

28.8131

1.59136

18.4601

0.128903

12.7285

6.76232

5.59927

14.0366

2.39699

73

Ta

Ta: *RHF

29.2024

1.77333

15.2293

9.37046

14.5135

0.295977

4.76492

63.3644

9.24354

73

Ta

Ta5+: *DS

29.1587

1.50711

18.8407

0.116741

12.8268

6.31524

5.38695

12.4244

1.78555

74

W

W: *RHF

29.0818

1.72029

15.43

9.2259

14.4327

0.321703

5.11982

57.056

9.8875

74

W

W6+: *DS

29.4936

1.42755

19.3763

0.104621

13.0544

5.93667

5.06412

11.1972

1.01074

75

Re

Re: *RHF

28.7621

1.67191

15.7189

9.09227

14.5564

0.3505

5.44174

52.0861

10.472

76

Os

Os: *RHF

28.1894

1.62903

16.155

8.97948

14.9305

0.382661

5.67589

48.1647

11.0005

76

Os

Os4+: *DS

30.419

1.37113

15.2637

6.84706

14.7458

0.165191

5.06795

18.003

6.49804

77

Ir

Ir: *RHF

27.3049

1.59279

16.7296

8.86553

15.6115

0.417916

5.83377

45.0011

11.4722

77

Ir

Ir3+: *DS

30.4156

1.34323

15.862

7.10909

13.6145

0.204633

5.82008

20.3254

8.27903

77

Ir

Ir4+: *DS

30.7058

1.30923

15.5512

6.71983

14.2326

0.167252

5.53672

17.4911

6.96824

78

Pt

Pt: *RHF

27.0059

1.51293

17.7639

8.81174

15.7131

0.424593

5.7837

38.6103

11.6883

78

Pt

Pt2+: *DS

29.8429

1.32927

16.7224

7.38979

13.2153

0.263297

6.35234

22.9426

9.85329

78

Pt

Pt4+: *DS

30.9612

1.24813

15.9829

6.60834

13.7348

0.16864

5.92034

16.9392

7.39534

79

Au

Au: RHF

16.8819

0.4611

18.5913

8.6216

25.5582

1.4826

5.86

36.3956

12.0658

79

Au

Au1+: *DS

28.0109

1.35321

17.8204

7.7395

14.3359

0.356752

6.58077

26.4043

11.2299

79

Au

Au3+: *DS

30.6886

1.2199

16.9029

6.82872

12.7801

0.212867

6.52354

18.659

9.0968

80

Hg

Hg: RHF

20.6809

0.545

19.0417

8.4484

21.6575

1.5729

5.9676

38.3246

12.6089

80

Hg

Hg1+: *DS

25.0853

1.39507

18.4973

7.65105

16.8883

0.443378

6.48216

28.2262

12.0205

80

Hg

Hg2+: *DS

29.5641

1.21152

18.06

7.05639

12.8374

0.284738

6.89912

20.7482

10.6268

81

Tl

Tl: *RHF

27.5446

0.65515

19.1584

8.70751

15.538

1.96347

5.52593

45.8149

13.1746

81

Tl

Tl1+: *DS

21.3985

1.4711

20.4723

0.517394

18.7478

7.43463

6.82847

28.8482

12.5258

81

Tl

Tl3+: *DS

30.8695

1.1008

18.3841

6.53852

11.9328

0.219074

7.00574

17.2114

9.8027

82

Pb

Pb: RHF

31.0617

0.6902

13.0637

2.3576

18.442

8.618

5.9696

47.2579

13.4118

82

Pb

Pb2+: *DS

21.7886

1.3366

19.5682

0.488383

19.1406

6.7727

7.01107

23.8132

12.4734

82

Pb

Pb4+: *DS

32.1244

1.00566

18.8003

6.10926

12.0175

0.147041

6.96886

14.714

8.08428

83

Bi

Bi: RHF

33.3689

0.704

12.951

2.9238

16.5877

8.7937

6.4692

48.0093

13.5782

83

Bi

Bi3+: *DS

21.8053

1.2356

19.5026

6.24149

19.1053

0.469999

7.10295

20.3185

12.4711

83

Bi

Bi5+: *DS

33.5364

0.91654

25.0946

0.039042

19.2497

5.71414

6.91555

12.8285

-6.7994

84

Po

Po: *RHF

34.6726

0.700999

15.4733

3.55078

13.1138

9.55642

7.02588

47.0045

13.677

85

At

At: *RHF

35.3163

0.68587

19.0211

3.97458

9.49887

11.3824

7.42518

45.4715

13.7108

86

Rn

Rn: RHF

35.5631

0.6631

21.2816

4.0691

8.0037

14.0422

7.4433

44.2473

13.6905

87

Fr

Fr: *RHF

35.9299

0.646453

23.0547

4.17619

12.1439

23.1052

2.11253

150.645

13.7247

88

Ra

Ra: *RHF

35.763

0.616341

22.9064

3.87135

12.4739

19.9887

3.21097

142.325

13.6211

88

Ra

Ra2+: *DS

35.215

0.604909

21.67

3.5767

7.91342

12.601

7.65078

29.8436

13.5431

89

Ac

Ac: *RHF

35.6597

0.589092

23.1032

3.65155

12.5977

18.599

4.08655

117.02

13.5266

89

Ac

Ac3+: *DS

35.1736

0.579689

22.1112

3.41437

8.19216

12.9187

7.05545

25.9443

13.4637

90

Th

Th: *RHF

35.5645

0.563359

23.4219

3.46204

12.7473

17.8309

4.80703

99.1722

13.4314

90

Th

Th4+: *DS

35.1007

0.555054

22.4418

3.24498

9.78554

13.4661

5.29444

23.9533

13.376

91

Pa

Pa: *RHF

35.8847

0.547751

23.2948

3.41519

14.1891

16.9235

4.17287

105.251

13.4287

92

U

U: RHF

36.0228

0.5293

23.4128

3.3253

14.9491

16.0927

4.188

100.613

13.3966

92

U

U3+: *DS

35.5747

0.52048

22.5259

3.12293

12.2165

12.7148

5.37073

26.3394

13.3092

92

U

U4+: *DS

35.3715

0.516598

22.5326

3.05053

12.0291

12.5723

4.7984

23.4582

13.2671

92

U

U6+: *DS

34.8509

0.507079

22.7584

2.8903

14.0099

13.1767

1.21457

25.2017

13.1665

93

Np

Np: *RHF

36.1874

0.511929

23.5964

3.25396

15.6402

15.3622

4.1855

97.4908

13.3573

93

Np

Np3+: *DS

35.7074

0.502322

22.613

3.03807

12.9898

12.1449

5.43227

25.4928

13.2544

93

Np

Np4+: *DS

35.5103

0.498626

22.5787

2.96627

12.7766

11.9484

4.92159

22.7502

13.2116

93

Np

Np6+: *DS

35.0136

0.48981

22.7286

2.81099

14.3884

12.33

1.75669

22.6581

13.113

94

Pu

Pu: *RHF

36.5254

0.499384

23.8083

3.26371

16.7707

14.9455

3.47947

105.98

13.3812

94

Pu

Pu3+: *DS

35.84

0.484938

22.7169

2.96118

13.5807

11.5331

5.66016

24.3992

13.1991

94

Pu

Pu4+: *DS

35.6493

0.481422

22.646

2.8902

13.3595

11.316

5.18831

21.8301

13.1555

94

Pu

Pu6+: *DS

35.1736

0.473204

22.7181

2.73848

14.7635

11.553

2.28678

20.9303

13.0582

95

Am

Am: *RHF

36.6706

0.483629

24.0992

3.20647

17.3415

14.3136

3.49331

102.273

13.3592

96

Cm

Cm: *RHF

36.6488

0.465154

24.4096

3.08997

17.399

13.4346

4.21665

88.4834

13.2887

97

Bk

Bk: *RHF

36.7881

0.451018

24.7736

3.04619

17.8919

12.8946

4.23284

86.003

13.2754

98

Cf

Cf: *RHF

36.9185

0.437533

25.1995

3.00775

18.3317

12.4044

4.24391

83.7881

13.2674