Microsoft Word - Line Positions and Data Formats-unifit2016.doc

unifit FOR WINDOWSl Line Positions and Data Formats Version 6

Ronald Hesse Unifit for Windows Data Formats Version 6 Scientific Software GmbH Henricistr. 3 D-477 Leipzig Germany

4 Line positions

Line positions 5 Content Line positions 7 Auger Parameters 34 3 Experimental Files.. 39 3. XPS Data 39 3.. VG ESCALAB i-xl (*.TAP;*.TXT). 39 3.. ESCALB Avantage (*.AVG).. 47 3..3 VG ESCA3 (*.TAP). 5 3..4 BESSY (*.*). 5 3..5 VSI (*.GPH). 5 3..6 HHUD (*.DAT). 53 3..7 CAF (*.CAF).. 54 3..8 KRATOS (*.CIL).. 55 3..9 PHI-54/PHI-56 (*.INF), (*.ASC).. 55 3.. PHI-545/59. 6 3 Single Region (*.TXT) 6 3 Multiregion (*.TXT) 6 33 Profile (*.TXT).. 6 3.. PHI-6/6C 63 3 Standard Format, Version (*.csv). 63 3 Standard Format, Version (*.csv). 65 33 Parameter Dependent Measurement (Depth Profile) (*.CSV) 66 3.. VGX-9 (*.) 69 3..3 VAMAS. 7 3..3. Standard Format (*.VMS;*NPL).. 7 3..3. Parameter Dependent Measurement (Depth Profile) (*.VMS).. 77 3..3.3 Multipoint Measurement (Area Scan) (*.VMS) 84 3..4 NPL (*.NPL) 93 3..5 SPECSLAB (*.exp). 94 3..6 VSW-Tübingen (*.dat). 9 3..7 VGS (*.xps) 3..8 ScientaSES-Signals (*.txt). 3..9 ScientaSES-Spectra (*.txt). 3 3.. PHI Spectrometer 4 3... Multiregion Measurements (*.spe) 4 3... PHI Spectrometer/Profile (*.pro) 6 3...3 PHI Spectrometer/Angle Resolved Profile (*.ang) 36 3.. Focus CSA (*.dat).. 43 3.. Croissant (*.pesp) 45 3..3 SSI-XPS (*.MRS).. 46 3..4 SPECS Phoibos5 (*.XY) 5 3..5 Energy-Intensity (*.dat).. 57 3. XAS Data 58 3.. NEXAFS (*.dat).. 58

6 Line positions 3.. BESSY-EMP/ (*.*) 58 3..3 MAXlab Scan Zeiss (*.SP7). 59 3..4 Lausanne-NanoLab (*.txt). 6 3..5 Photon Energy/Intensity (*.dat).. 6 4 Files Created Using UNIFIT. 63 4. Exported Files.. 63 4.. Call: [File Export] (*.DAT).. 63 4 Standard Windows. 63 4 3D-Waterfall.. 63 43 3D-Waterfall Plus 63 44 3D-Waterfall 45, 3D-Waterfall -45, 3D-Colour Profile. 64 45 Parameter Plot.. 64 46 Wagner Plot.. 65 47 XY Plot 45, XY Plot -45, XY Colour Profile. 65 4.. Call: [Batch Processing Export Spectra all Windows] (*.DAT) 65 4..3 Call: [Batch Processing Export Fit Parameters] (*.DAT). 66 4..4 Call: [Concentration - Concentration] and Save (*.KON).. 66 4..5 Call: [Concentration - Concentration] and Save (*.DAT) 67 4. Project File (*.UFP).. 67 4.3 Fit-Parameter File (*.PAR).. 9 4.4 Annotation/Design File (*.DSG) 3 4.5 Inelastic Electron Scattering Cross-Section File (*.CRO) 8 5 Data Banks Integrated in UNIFIT 83 5. Auger Parameter (*.AUP). 83 5. Peaks Positions of Photoelectron Lines (*.POS) 83 5.3 Sensitivity Factors (*.SEN).. 83 5.4 Satellite File (satellit.set) 84 5.5 Doublet File (doublet.dda). 85 6 References. 87

Line positions 7 Line positions All photoelectron lines are in BE, all Auger lines are in KE! [,, 3] The main lines are marked by a star. The values are saved in the directoies Unifit_6_User_Files\lines. The second part gives the chemical shifts of some compounds. line positions.pos Pd 4d V 3d Cr 3d Mo 4d Tc 4d Ru 4d 3 Zr 4d 3 Co 3d 3 Y 4d 3 Cu 3d 3 Rh 4d 3 Ag 4d 4 Mn 3d 4 Ni 3d 4 Nb 4d 5 Ca 3d 5 Ti 3d 5 Br 4p 6 Fe 3d 6 Se 4p 7 Cl 3p 7 Sc 3d 7* Lu 4f7 9* Lu 4f5 9 Cd 4d Zn 3d Kr 4p Ar 3p 3 Tl 5d5 4 P 3s 4 S 3s 4 Rb 4p 4 Te 5s 4* Hf 4f7 5 Tl 5d3 6* Hf 4f5 6 In 4d 6 I 5s 7 K 3p 8 Cl 3s 8 Pb 5d5 9* Ga 3d 9 Xe 5s Sr 4p Sm 5p Ho 5p Gd 5p Pb 5d3 Kr 4s Ba 5s Pm 5p * Ta 4f7 3* O s 4 Ar 3s 4 Cs 5s 4* Ta 4f5 4 Eu 5p 5 Ca 3p 5 Er 5p 5* Sn 4d 6 Y 4p 6 Dy 5p 6 Tm 5p3 6 Yb 5p3 6 Bi 5d5 7 Br 4s 7 Lu 5p3 9 Rb 4s 9 Zr 4p 9 Tb 5p 9 Bi 5d3 9* Ge 3d 3 Hf 5p3 3* F s 3 Na p 3 Sc 3p 3* W 4f7 3 Sb 4d 3 Tm 5p 33 K 3s 33 Ti 3p 33 Yb 5p 33 Ta 5p3 33 Re 5p3 33* W 4f5 34 Nb 4p

8 Line positions 34 Eu 5s 34 Lu 5p 35 La 5s 36 Mo 4p3 36 Ce 5s 36 Gd 5s 37 Mo 4p 37 Sr 4s 37 Hf 5p 37 W 5p3 37* V 3p 38 Pr 5s 38 Pm 5s 39 Tc 4p 39 Nd 5s 4 At 5d 4 V 3p 4 Te 4d 4 Ta 5p 4* Re 4f7 4 Sm 5s 4 As 3d 4* Ne s 4 Cr 3p3 4* Re 4f5 4* As 3d 43* Cr 3p 44 Ca 3s 45 Ru 4p 46 Y 4s 46 Tb 5s 47 W 5p 48 Os 5p3 48 Rn 5d 48* Mn 3p 49 Rh 4p 49* I 4d5 5* Mg p 5 Ho 5s 5 Po 5d 5 Zr 4s 5* I 4d3 5* Os 4f7 5 Pt 5p3 53 Pd 4p 53 Ir 5p3 53* Fe 3p 54 Se 3d 54 Tm 5s 54* Os 4f5 55 Yb 5s 56 Ag 4p3 56* Li s 56* Se 3d 58 Au 5p3 58 Lu 5s 58 Fr 5d 59 Ti 3s 6 Os 5p 6* Co 3p 6 Nb 4s 6 Er 5s 6* Xe 4d5 6* Ir 4f7 6 Pt (N67O45O45) 6 Ag 4p 63 Co 3p 63* Xe 4d3 63 Dy 5s 64 Mo 4s 64* Ir 4f5 64* Na s 64 Hf 5s 65 Hg 5p3 66 V 3s 67* Ni 3p 68 Cd 4p 68 Ra 5d 68 Tc 4s 69* Br 3d 69 Ta 5s 7* Au (N67O45O45) 7* Pt 4f7 73* Al p 74 Cr 3s 74* Pt 4f5 75* Hg (N7O45O45) 75 Cs 4d5 75* Cu 3p3 76 Tl 5p3 76 W 5s 77* Cu 3p 77 Ru 4s 77* Cs 4d5 79 In 4p 8* Cs 4d3 8 Ac 5d 8 Hg (N6O45O45) 8 Re 5s 83 Rh 4s 83 Pb 5p3 83 Mn 3s

Line positions 9 84 Hg 5p 84* Au 4f7 86 Os 5s 86* Tl (N7O45O45) 87* Kr 3d 87 Th 5d5 87 Zn 3p3 88 Tl (N6O45O45) 88 Pd 4s 88* Au 4f5 89* Mg s 89* Zn 3p3 9* Ba 4d5 9 Sn 4p 9* Zn 3p 9 Fe 3s 93* Ba 4d3 93 Pb (N7O45O45) 94 Bi 5p3 94 Th 5d3 96* Pb (N6O45O45) 98 Ag 4s 98 Ir 5s 99* Si p Tl 5p * Bi (N7O45O45) * Hg 4f7 La 4d5 3* La 4d5 3 Co 3s 4 Po 5p3 4* Ga 3p3 4 Bi (N6O45O45) 4 Pt 5s 5 Sb 4p 5* Hg 4f5 6* La 4d3 7* Ga 3p 7 Pb 5p 9 Cd 4s 9* Ce 4d5 Au 5s Ni 3s * Rb 3d * Be s * Ce 4d3 4 Te 4p 5 At 5p3 5* Pr 4d 8* Tl 4f7 8* Al s Bi 5p * Nd 4d * Tl 4f5 * Ge 3p3 3 In 4s 3 I 4p 3 Cu 3s 6* Ge 3p 7 Hg 5s 7 Rn 5p3 8* Eu 4d 9 Pm 4d 9* Sm 4d 3* P p 3 Po 5p 33 Tl 5s 34* Sr 3d5 36* Sr 3d3 37 Sn 4s 37* Pb 4f7 39 Xe 4p 4 Fr 5p3 4* Gd 4d 4 Zn 3s 4* As 3p3 4* Pb 4f5 46* As 3p 46* Tb 4d 48 At 5p 5 Pb 5s 5* S (L3M3M3) 5* Si s 5* Dy 4d 5 Th (N7O45O45) 53 Sb 4s 53 Ra 5p3 56* Y 3d5 57* Bi 4f7 58* Y 3d3 6* Ho 4d 6 Ga 3s 6 Bi 5s 6 Cs 4p3 6* Bi 4f5 63* Se 3p3 64* S p 64 Rn 5p 67* Er 4d 67 Ac 5p3 68* Nb (M45N3V) 69* Se 3p

Line positions 7 Te 4s 73 Cs 4p 75* Tm 4d 77* B (KL3L3) 77 Po 5s 77 Th 5p3 79* Zr 3d5 79 Ba 4p3 8* Zr 3d3 8 Ge 3s 8 Fr 5p 8* Yb 4d5 8* Br 3p3 83* Cl (L3M3M3) 84 Po 4f 87 I 4s 88* P s 88* Mo (M45N3V) 89* B s 89* Br 3p 9* Yb 4d3 93 Ba 4p 95 At 5s 96* Lu 4d5 97 La 4p3 99* Cl p3 Nb (M45N45N45) Ra 5p * Cl p * Nb 3d5 5 As 3s 5* Nb 3d3 6* Lu 4d3 7 Xe 4s 7 Ce 4p3 7 Tc (M45N3V) 8* Kr 3p3 At 4f * Hf 4d5 3 La 4p 4 Rn 5s 5* Ar (L3M3M3) 5 Ac 5p 6* Kr 3p 8 Pr 4p3 8 K (L3MM3) * Hf 4d3 3 Mo (M45N45N45) 3 Ce 4p 6* Ta 4d5 6 K (L3MM3) 6 Th 5p 8* S s 8 Nd 4p3 8* Mo 3d5 3 Ru (M45N3V) 3* Mo 3d3 3 Se 3s 34 Cs 4s 34 Fr 5s 34 Pr 4p 38 Rn 4f 38* Ta 4d3 4* Rb 3p3 4 Pm 4p3 4* Ar p3 43* W 4d5 44* Ar p 45 Nd 4p 46 Tc (M5N45N45) 48* Th (N67O45V) 48* K (L3M3M3) 49* Rb 3p 5 Sm 4p3 53 Rh (M45N3V) 53 Tc 3d5 54 Ba 4s 54 Ra 5s 56 Br 3s 56* W 4d3 57 Tc 3d3 6* Re 4d5 6 Eu 4p3 64 Pm 4p 64* C (KL3L3) 68 Fr 4f 7* Sr 3p3 7 Gd 4p3 7* Cl s 7 Ac 5s 74* Re 4d3 75* Ru (M5N45N45) 75 La 4s 76 Pd (M45N3V) 79* Os 4d5 8* Ru 3d5 8* Sr 3p 83* U (N67O45V) 83 Sm 4p 84* Ru 3d3 85* Tb 4p3 85* C s

Line positions 87 Kr 3s 89 Eu 4p 9 Ce 4s 9* Ca (L3M3M3) 93* Os 4d3 94* K p3 94 Th 5s 96 Ag (M45N3V) 97* K p 97* Ir 4d5 97* Dy 4p3 99 Ra 4f 99* Y 3p3 3 Gd 4p 3* Rh (M45N45N45) 35 Pr 4s 37 Sc (L3MM3) 37* Rh 3d5 39* Ho 4p3 3* Y 3p 3* Ir 4d3 3* Rh 3d3 35* Pt 4d5 35 Sc (L3MM3) 36 Cd (M45N3V) 39 Ac 4f 3 Nd 4s 3* Ar s 3* Er 4p3 3* Tb 4p 35 Rb 3s 38* Pd (M45N45N45) 33* Zr 3p3 33* Pt 4d3 333* Th 4f7 333* Tm 4p3 335* Au 4d5 335* Pd 3d5 337 Pm 4s 337* Dy 4p 338* Sc (L3M3M3) 338 Ti (L3MM3) 34* Pd 3d3 34* Yb 4p3 34* Th 4f5 344* Zr 3p 347* Ca p3 349 Sm 4s 35* Ca p 35* Ag (M5N45N45) 353* Ho 4p 353* Au 4d3 358 Ti (L3MM3) 358* Ag (M4N45N45) 36* Lu 4p3 36 Sr 3s 36* Nb 3p3 36* Hg 4d5 366 Eu 4s 368* Er 4p 368* Ag 3d5 369 Sc (LM3M45) 374* Ag 3d3 376* Nb 3p 377* Cd (M5N45N45) 377* U 4f7 378 Gd 4s 38* K s 38* N (KL3L3) 38 Hf 4p3 38* Hg 4d3 384* Cd (M4N45N45) 384* Tm 4p 385* Tl 4d5 388* U 4f5 389* Yb 4p 389 Ti (L3M3M3) 394* Mo 3p3 394 Y 3s 396 Tb 4s 399* Sc p3 4 V (L3MM3) 4* N s 4 Ta 4p3 43* In (M5N45N45) 44* Sc p 45* Cd 3d5 46* Tl 4d3 4* Mo 3p 4 V (L3MM3) 4* In (M4N45N45) 4* Pb 4d5 4* Cd 3d3 43* Lu 4p 47 Dy 4s 49* Ti (L3M3M45) 44 W 4p3 45 Tc 3p3 49* Sn (M5N45N45) 43 Zr 3s 434* Pb 4d3 435 Ho 4s

Line positions 437 Hf 4p 438* Sn (M4N45N45) 439 V (L3M3M3) 44* Ca s 44* Bi 4d5 444* In 3d5 445 Tc 3p 446 Re 4p3 448 Cr (L3MM3) 45 Er 4s 45* In 3d3 454* Ti p3 455* Sb (M5N45N45) 46 Cr (L3MM3) 46* Ti p 46* Ru 3p3 463 Ta 4p 465* Bi 4d3 465* Sb (M4N45N45) 467 Nb 3s 47 Tm 4s 47 Os 4p3 473* V (L3M3M45) 473 Po 4d5 474 O (KLL) 48* Te (M5N45N45) 48 Yb 4s 484* Ru 3p 485* Sn 3d5 488 O (KLL3) 49 Cr (L3M3M3) 49 W 4p 49* Te (M4N45N45) 493* Sn 3d3 495 Ir 4p3 497* Rh 3p3 499* Sc s 5 Mn (L3MM3) 5 Po 4d3 55* I (M5N45N45) 56 Mo 3s 57 At 4d5 59* O (KL3L3) 59 Lu 4s 5 V (L3M45M45) 5* V p3 54 Mn (L3MM3) 56* I (M4N45N45) 58 Re 4p 5* V p 5 Pt 4p3 5* Rh 3p 58* Cr (L3M3M45) 58* Sb 3d5 53* O s 53* Xe (M5N45N45) 533* Pd 3p3 533 At 4d3 534 Hf 4s 537* Sb 3d3 54 Rn 4d5 543 Mn (L3M3M3) 544 Tc 3s 545* Xe (M4N45N45) 547 Au 4p3 548 Os 4p 549 Fe (L3MM3) 555* Cs (M5N45N45) 56* Pd 3p 56* Ti s 563 Ta 4s 564 Fe (L3MM3) 567 Rn 4d3 569* Cs (M4N45N45) 57 Cr (L3M45M45) 573* Te 3d5 573* Ag 3p3 574* Cr p3 577 Fr 4d5 578 Ir 4p 579 Hg 4p3 583* Te 3d3 583* Cr p 586 Ru 3s 587* Ba (M5N45N45) 587* Mn (L3M3M45) 594 W 4s 599 Fe (L3M3M3) 6* Ba (M4N45N45) 63 Fr 4d3 63 Ra 4d5 64* Ag 3p 67 Co (L3MM3) 69 F (KLL) 69 Pt 4p 6 Tl 4p3 69* Cd 3p3 69* I 3d5 6 Co (L3MM3) 6* La (M5N45N45) 65 Re 4s 66 V s

Line positions 3 68 F (KLL3) 69 Rh 3s 63* I 3d3 633* La (M4N45N45) 635 Mn (L3M45M45) 636 Ra 4d3 639* Mn p3 639 Ac 4d5 643 Au 4p 644 Pb 4p3 648 Fe (L3M3M45) 649 Co (L3M3M3) 65* Mn p 653* Cd 3p 654* Ce (M45N45N45) 655* F (KL3L3) 656 Co (LM3M3) 658 Os 4s 66 Ni (L3MM3) 665* In 3p3 67* Xe 3d5 67 Pd 3s 675 Ni (L3MM3) 675 Ac 4d3 676* Th 4d5 679 Bi 4p3 68 Hg 4p 683* Xe 3d3 685* F s 69* Pr (M45N45N45) 69 Ir 4s 696* Cr s 73* Fe (L3M45M45) 73* In 3p 75 Po 4p3 77* Fe p3 79 Ni (L3M3M3) 7 Co (L3M3M45;P) 73* Th 4d3 75* Sn 3p3 75 Ni (LM3M3) 76 Co (L3M3M45;3P) 78 Cu (L3MM3) 79 Ag 3s 7* Fe p 7 Tl 4p 75 Pt 4s 76* Cs 3d5 79* Nd (M45N45N45) 73 Cu (L3MM3) 736* U 4d5 74 At 4p3 74* Cs 3d3 757* Sn 3p 76 Pb 4p 763 Au 4s 767* Sb 3p3 768 Cu (L3M3M3) 768 Rn 4p3 769 Mn s 769 Zn (L3MM3) 77 Cd 3s 773 Pm (M45N45N45) 774* Co (L3M45M45) 775 Cu (LM3M3) 775 Ni (L3M3M45;P) 778* Co p3 779* U 4d3 78 Ni (L3M3M45;3P) 78* Ba 3d5 784 Zn (L3MM3) 789 Co (LM45M45) 793* Co p 796* Ba 3d3 85 Hg 4s 85* Sm (M45N45N45) 86 Bi 4p 8 Fr 4p3 83* Sb 3p 88* Ne (KL3L3) 8* Te 3p3 87 Zn (L3M3M3) 88 In 3s 83 Ga (L3MM3) 835 Zn (LM3M3) 836* La 3d5 839 Cu (L3M3M45;P) 845 Fe s 845 Ga (L3MM3) 846* Ni (L3M45M45) 847 Tl 4s 847 Cu (L3M3M45;3P) 85* Eu (M45N45N45) 85 Po 4p 853* La 3d3 853* Ni p3 859 Cu (LM3M45) 863 Ni (LM45M45) 863* Ne s 87* Ni p 87* Te 3p 875 I 3p3

4 Line positions 879 Ra 4p3 884* Ce 3d5 885 Sn 3s 885* Gd (M45N45N45) 886 At 4p 888 Ga (L3M3M3) 89 Ge (L3MM) 893 Pb 4s 895 Ge (L3MM3) 898 Ga (LM3M3) 9 Ac 4p3 9* Ce 3d3 95 Zn (L3M3M45;P) 94 Zn (L3M3M45;3P) 99* Cu (L3M45M45) 95 Co s 96 Na (KLL) 98 Tb (M45N45N45) 99 Rn 4p 93 I 3p 93* Pr 3d5 933* Cu p3 934 Xe 3p3 939 Cu (LM45M45) 94 Bi 4s 944 Sb 3s 95 As (L3MM3) 95 Na (KLL3) 95* Pr 3d3 953 Ge (L3M3M3) 953* Cu p 96* Dy (M45N45N45) 96 Ge (LM3M3) 965 Th 4p3 966 As (L3MM3) 973 Ga (L3M3M45;P) 98 Fr 4p 98* Nd 3d5 983 Ga (L3M3M45;3P) 99* Zn (L3M45M45) 994* Na (KL3L3) 995 Po 4s 996 Xe 3p 999 Ho (M45N45N45) Ga (LM3M45) * Nd 3d3 Cs 3p3 9 Te 3s 9 Ni s 5 Zn (LM45M45) As (L3M3M3) * Zn p3 3 As (LM3M3) 34* Pm 3d5 43 Ge (L3M3M45;P) 45* Zn p 45 At 4s 47 Er (M5N45N45) 54 Ge (L3M3M45;3P) 58 Ra 4p 6* Pm 3d3 64 Ba 3p3 69* Ga (L3M45M45) 69 Cs 3p 7 I 3s 7* Na s 75 Ge (LM3M45) 76 Tb (M45N45V) 8 Ac 4p 8* Sm 3d5 95 Ga (LM45M45) 97 Rn 4s 97 Cu s 6 Mg (KLL) 8* Sm 3d3 6 As (L3M3M45;P) 7* Ga p3 9 Dy (M45N45V) 6* Eu 3d5 7 As (L3M3M45;3P) 7 Se (L3MM45) 8 La 3p3 38 Ba 3p 4 Mg (KLL 3) 4 Xe 3s 44* Ga p 45* Ge (L3M45M45) 5 As (LM3M45) 53 Fr 4s 56* Eu 3d3 7 Th 4p 73 Ho (M45N45V) 77 Ge (LM45M45) 84 Ce 3p3 86* Gd 3d5 86* Mg (KL3L3) 88 Se (L3MM45) 95 Zn s Se (L3M3M45) 8 Ra 4s 8 La 3p 4 Er (M45N45V)

Line positions 5 6 Cs 3s 7* Ge p3 8* Gd 3d3 5* As (L3M45M45) 7* Tb (M5VV) 3 Se (L3M3M5) 4* Tb 3d5 4 Pr 3p3 48* Ge p 57 Tb (M4VV) 6 As (LM45M45) 69 Ac 4s 7 Ce 3p 76* Tb 3d3 9 Ba 3s 96* Dy 3d5 3 Nd 3p3 3 Ga s 33* Mg s 36* Se (L3M45M45) 34* As p3 33 Th 4s 333* Dy 3d3 339 Pr 3p 347 Se (LM45M45) 359* As p 37* Ho (M4VV) 387 Al (KL3L3) 387 Ho (M4VV) 389* Er (M5VV) 43 Er (M4VV) 56 Al s 589 Lu 3d5 67* Si (KL3L3) 639 Lu 3d3 66 Hf 3d5 675* Ta (M5N67N67) 76 Hf 3d3 735 Ta 3d5 793 Ta 3d3 89 W 3d5 839 Si s 87 W 3d3 883 Re 3d5 949 Re 3d3 96 Os 3d5 6* Au (M5N7N7) 4 Lu 3p3 3 Os 3d3 4 Ir 3d5 8 Hf 3p3 6* S (KL3L3) 6 Ir 3d3 Pt 3d5 45 P s 94 Ta 3p3 Pt 3d3 6 Au 3d5 64 Lu 3p 8 W 3p3 9 Au 3d3 95 Hg 3d5 365 Hf 3p 367 Re 3p3 385 Hg 3d3 389 Tl 3d5 457 Os 3p3 469 Ta 3p 47 S s 484 Pb 3d5 485 Tl 3d3 49 Lu 3s 55 Ir 3p3 575 W 3p 58 Bi 3d5 586 Pb 3d3 6 Hf 3s 645 Pt 3p3 68 Re 3p 683 Po 3d5 688 Bi 3d3 78 Ta 3s 743 Au 3p3 787 At 3d5 79 Os 3p 798 Po 3d3 8 W 3s 8 Cl s 847 Hg 3p3 89 Rn 3d5 99 Ir 3p 99 At 3d3 93 Re 3s 957 Tl 3p3 3 Fr 3d5 34 Rh p3 3 Rn 3d3 37 Pt 3p 349 Os 3s 366 Pb 3p3 35 Fr 3d5 336 Fr 3d3

6 Line positions 346 Rh p 348 Au 3p 374 Ir 3s 373 Pd p3 377 Bi 3p3 36 Ar s 39 Ac 3d5 348 Ra 3d3 379 Hg 3p 396 Pt 3s 33 Po 3p3 333 Pd p 333 Th 3d5 335 Ag p3 337 Ac 3d3 34 Rh s 346 Tl 3p 345 Au 3s 346 At 3p3 344 Pa 3d5 349 Th 3d3 354 Ag p 355 U 3d5 3554 Pb 3p 356 Hg 3s 3538 Rn 3p3 364 Pd s 368 K s 36 Pa 3d3 3663 Fr 3p3 3696 Bi 3p 379 Ra 3p3 374 Tl 3s 378 U 3d3 386 Ag s 385 Pb 3s 3854 Po 3p 399 Ac 3p3 3999 Bi 3s 48 At 3p 438 Ca s 446 Th 3p3 449 Po 3s 459 Rn 3p 474 Pa 3p3 433 U 3p3 437 At 3s 437 Fr 3p 448 Rn 3s 449 Ra 3p 449 Sc s 465 Fr 3s 4656 Ac 3p 48 Ra 3s 483 Th 3p 4966 Ti s 5 Pa 3p 5 Ac 3s 58 Th 3s 58 U 3p 5367 Pa 3s 5548 U 3s 5465 V s 5989 Cr s 6539 Mn s 7 Fe s 779 Co s 8333 Ni s 8979 Cu s 944 Lu p3 956 Hf p3 9659 Zn s 988 Ta p3 7 W p3 349 Lu p 367 Ga s 535 Re p3 739 Hf p 87 Lu s 87 Os p3 3 Ge s 36 Ta p 5 Ir p3 7 Hf s 544 W p 564 Pt p3 68 Ta s 867 As s 99 Au p3 959 Re p W s 84 Hg p3 385 Os p 658 Se s 658 Tl p3 84 Ir p 968 Os s 335 Pb p3 373 Pt p 349 Ir s 349 Bi p3 3474 Br s

Line positions 7 3734 Au p 384 Po p3 388 Pt s 49 Hg p 44 At p3 436 Kr s 4353 Au s 469 Rn p3 4698 Tl p 53 Fr p3 5 Rb s 5 Pb p 5347 Tl s 5444 Ra p3 57 Bi p 586 Pb s 587 Ac p3 65 Sr s 644 Po p 63 Th p3 6388 Bi s 6733 Pa p3 6785 At p 6939 Po s 738 Y s 766 U p3 7337 Rn p 7493 At s 797 Fr p 7998 Zr s 849 Rn s 8484 Ra p 8639 Fr s 8986 Nb s 983 Ac p 937 Ra s 9693 Th p 984 Ac s Mo s 34 Pa p 47 Th s 948 U p 44 Te s 5 Pa s 757 U s 7 Ru s 3 Rh s 435 Pd s 554 Ag s 67 Cd s 794 In s 9 Sn s 349 Sb s 384 Te s 3369 I s 3456 Xe s 35985 Cs s 3744 Ba s 3895 La s 4443 Ce s 499 Pr s 43569 Nd s 4584 Pm s 46834 Sm s 4859 Eu s 539 Gd s 5996 Tb s 53789 Dy s 5568 Ho s 57486 Er s 5939 Tm s 633 Yb s 6334 Lu s 6535 Hf s 6746 Ta s 6955 W s 7676 Re s 7387 Os s 76 Ir s 78395 Pt s 875 Au s 83 Hg s 8553 Tl s 885 Pb s 954 Bi s 935 Po s 9573 At s 9844 Rn s 37 Fr s 39 Ra s 6755 Ac s 965 Th s 6 Pa s 566 U s Ag (M4N45N45).pos 357.8 Ag 356.7 AgO 356.6 AgO 354. AgSO4

8 Line positions Ag (M5N45N45).pos 35. Mg97Ag3 35.8 Ag 35.4 AgSe 35. AgS 35.7 AgO 35.6 AgO 35. AgI 349.6 AgF 349.3 AgF Ag 3d5.pos 367.3 AgF 367.4 AgO 367.5 AgCO3 367.7 AgF 367.8 AgO 367.8 CuAgSe 367.8 AgSe 367.8 AgSO4 368. AgI 368. AgS 368. Ag 368.4 Ag(OAc) 368.8 AgYb 368.8 AgOOCCF3 368.8 Mg97Ag3 Al (KL3L3).pos 393.3 Al 39. AlAs 389. AlN 388. AlO3/alpha 387.9 AlO3/sapphire 387.8 AlO3/gamma 387.7 Al(OH)3/bayerite 387.6 AlOOH 387. Mica/muscovite 386.9 AlSiO5/sillimannite 386.9 Mol Sieve A 385.5 H Zeolon Al p.pos 7. AlB 7.9 Al 73.4 Fe3Al 73.6 AlAs 73.6 AlGaAs 73.6 CoAlO4 73.7 Mol Sieve A 73.7 AlO3/gamma 73.9 AlO3/alpha 74. AlN 74. AlO3/sapphire 74. AlOH/boehmite 74. Al(MoO4)3 74. NiAlO4 74. AlOH 74. Al(OH)3/bayerite 74.3 Al(WO4)3 74.3 Mica/muskovite 74.6 AlS3 74.6 AlI3 74.6 AlSiO5/sillimanite 74.7 AlCl3 74.7 MgAlO4 74.8 AlSiO5/mullite 74.8 H Zeolon 75. AlBr3 75.6 LiAlH4 76.3 AlF Ar p.pos 4.5 Ar in graphite As (L3M45M45).pos 5. GaAs 4. As.9 AsI3. AsS3. Ph3As 9.5 Ph3AsO 8.8 AsO3 8. AsBr3 7.5 AsO5 3.8 KAsF6 As 3d.pos 4.6 InAs 4. AlGaAs 4. AlAs 4. GaAs 4.5 As 4.8 Ph3As 43.4 AsS3

Line positions 9 43.4 AsI3 44.3 Ph3AsO 44.9 AsO3 45.3 AsBr3 46.AsO5 47.8 KAsF6 As p3.pos 33. GaAs 34.3 As 35.7 AsO 36.4 AsO3 37.4 AsO5 Au (M5N67N67).pos 5.7 Au Au 4f7.pos 84. Au 84.5 AuSn 85. AuSn4 85.3 ClAuPh3P B s.pos 86.5 B4C 87. NaBH4 87.3 B 87.5 TiB 87.8 BH4 88.5 AlB 9.5 BN 93. H3BO3 9.6 NaB4O7.HO 93. BO3 94.9 NaBF4 Ba (M4N45N45).pos 6. Ba 598. BaO 596. BaSO4 594.9 BaF Ba 3d5.pos 778.9 BaCrO4 779. BaMoO4 779.8 BaS 779.9 BaO 779.9 BaCO3 78.6 Ba 78.7 Ba(NO3) 78.8 BaSO4 78.7 BaF Be s.pos.8 Be 3.7 BeO 5.3 BeF 5.3 NaBeF3 Bi 4f7.pos 56.8 Bi 58.3 BiMoO6 58.9 BiS3 59.3 BiI3 59.8 BiO3 59.9 BiOCl 6.8 BiF3 6. Bi(SO4)3.HO Br (L3M45M45).pos 389. LiBr 388.3 NaBr 388. KBr 384.4 KBrO3 Br 3d.pos 66.7 Ph4AsBr 68.3 CsBr 68.4 RbBr 68.7 KBr 68.8 NaBr 68.9 LiBr 68.9 CuBr 69. KPtBr6 69.3 KPtBr4 7. Bromanil 74.8 KBrO3 C s.pos 8.6 TiC 8.8 WC

Line positions 83.9 Fe3C 83.9 K3Fe(CN)6 84.5 Graphite 84.6 PhNH 84.7 Benzene 85. -CH- 85.5 C5H5N 85.6 C6H5F(C*H) 85.6 EtNH 85.7 C6H5Cl(C*H) 85.7 ( -C*HCFH-)n 85.9 PVC(-C*HCHCl-) 86. KCN 86.3 CH3C*HOH 86.3 C*H3CN 86.4 (-C*HCF-) 86.5 ( CH3C*H)O 86.5 PVA(-CHC*HOH-)n 86.9 CH3COOC*HCH3 87. CS 87. PVC(-CHC*HCl-) 87. C6H5Cl(C*Cl) 87. CH3C*N 87.8 C6H5F(C*F) 87.9 (-CHC*FH-)n 87.9 CH3C*OCH3 88. Fe(CO)5 88. HNCSNH 88. CH3C*OONa 88.4 CH3C*ONH 88.7 HNCONH 89.3 CH3C*OOH 89.4 NaCO3 89.5 Cl3C*COONa 89.6 CaCO3 89.6 HCCl3 9. NaHCO3 9.9 (-CHC*F-)n 9.9 CO 9. Teflon(-CFCF-)n 9.4 CCl4 9.9 C*F3COOEt 94.7 HCF3 96.7 CF4 Ca (L3M3M3).pos 98. Ca 9.5 CaO 9.9 CaCO3 9.9 CaCl 88.9 CaF Ca p3.pos 345.9 Ca 346.3 CaCrO4 346.5 CaS 347. CaCO3 347. Ca3Si3O9 347.3 CaO 347.9 CaF 348. CaSO4 348.3 CaCl Cd (M4N45N45).pos 384. Cd 38.4 CdO 38,4 CdTe 38.7 CdSe 38.3 CdS 38. CdI 379. CdF Cd 3d5.pos 44. CdO 44.6 Hg.8Cd.Te 45. CdSe 45. Cd 45. Cd(OH) 45. CdCO3 45. CdTe 45.3 CdS 45.4 CdI 45.9 CdF 46. CdBr 46. CdCl Ce 3d5.pos 88.9 CeO 883.5 CeAl 883.6 CeCuSi 883.9 Ce 884.3 CePd3 884.3 CeSe 886. CeH3 Cl p3.pos

Line positions 96.3 CsCl 98.3 UOCl 98.4 KCl 98.5 LiCl 98.5 ZnCl 98.6 NaCl 98.6 RhCl3 98.8 KPdCl4 98.8 KPtCl4 98.9 PdCl 99.4 NiCl 99.6 CuCl 99.7 ZnCl.5 Poly(-chlorostyren).6 PVC 6. KClO3 8.7 KClO4 Co (L3M45M45).pos 773. Co 766.8 K3Co(CN)6 768.6 Co(NH3)6Cl3 768.3 CoSiF6 Co p3.pos 778. CoS 778.3 Co 779.9 Co3O4 78.3 CoOOH 78.4 CoO 78.3 Co(OH) 78.3 CoAlO4 78.7 Co(NH3)6Cl3 78.9 K3Co(CN)6 78.4 CoF3 783. CoF 783.6 CoSiF6 784. CoSO4 Cr (L3M3M45).pos 57. Cr Cr p3.pos 574.3 Cr 576.3 K3Cr(CN)6 576.6 CrO3 576.6 Cr(CO)6 576.9 Cr(acac)3 577. CrOOH 577.3 Cr(OH)3 577.4 CrCl3 579.4 NaCrO7 579.9 KCrO7 58. CrO3 58.5 NaCrO4 Cs (M4N45N45).pos 568.7 CsOH 568.4 CsSO4 Cs 3d5.pos 73.6 CsF 73.9 CsI 73.9 CsSO4 74. CsBr 74. CsCl 74. CsF 74. CsOH 76.4 Cs Cu (L3M45M45).pos 98.6 Cu 98.6 Cu64Zn36 98. CuO 97.9 CuS 96.6 CuO 96. Cu(OH) 95.6 CuSO4 95.3 CuCl 95.3 CuCl 95. CuF 94.5 CuCN 94.4 CuS Cu p3.pos 93.9 CuInSe 93.3 CuS 93.5 CuO 93.5 CuS 93.5 CuCl 93.6 Cu64Zn36 93.7 Cu 933. CuCN 933.8 CuO

Line positions 935. CuCl 934.5 Cu(acac) 934.9 CuSO4 935. Cu(OH) 936. CuF Dy 3d5.pos 95.5 Dy 98.9 DyO3 Dy 4d.pos 5.4 Dy 67.7 DyO3 Er 4d.pos 67.3 Er 68.7 ErO3 Eu 3d5.pos 5.6 Eu Eu 4d.pos 8. Eu 35.9 EuO3 F (KL3L3).pos 656. CuF 656. CdF 655.4 CaF 655. NaF 654.7 LiF 654.4 MgF 654. Na3AlF6 653.8 CsF 653. NaSiF6 65.8 NaBF4 65.4 (-CF-CF-)n F s.pos 683.9 KF 684.5 CuF 684.5 NaF 684.6 CdF 684.8 CaF 684.8 UF 685. LiF 685.5 MgF 685.5 Na3AlF6 685.9 CsF 686. NaSiF6 686.9 (-CHF-CH-)n 687. NaBF4 688. (-CF-CH-)n 689.7 (-CF-CF)n 694. NF4BF4 Fe (L3M45M45).pos 7.9 FeB 7.4 Fe Fe p3.pos 76.7 Fe 77. K4Fe(CN)6 77. FeS 77.4 FeB 78. Fe3C 79.6 FeO 79.6 K3Fe(CN)6 7.6 Fe3O4 7.9 FeO3 7. FeSO4 Ga (L3M45M45).pos 68. Ga 66.3 GaAs 65.6 GaP 64.5 GaN 6.4 GaO3 Ga p3.pos 6.7 Ga 6.8 GaP 6.9 GaO3 Ga 3d.pos 8.7 Ga 9. AlGaAs 9.3 GaAs 9.3 GaP 9.5 GaN

Line positions 3.5 GaO3 Gd 3d5.pos 87. Gd 89. GdO3 9. Gd(SO4)3 Gd 4d.pso 4.4 Gd 43.8 GdO3 43.8 Gd(SO4)3 Ge (L3M45M45).pos 45. Ge 43.7 GeS 4.9 GeSe 37.7 GeO 35.7 NaGeF6 Ge p3.pos 7. Ge 9.8 GeS.4 GeO.3 NaGeF6 Ge 3d.pos 9.3 Ge 3.5 GeS 3.7 GeSe 3.7 GeO 33.3 NaGeF6 Hf 4f7.pos 4. Hf 6.7 HfO Hg 4f7.pos 99.9 Hg. Hg.8Cd.Te.8 HgCl.8 HgO. HgS/cinnabar.4 HgCl Ho 4d.pos 59.6 Ho I (M4N45N45).pos 59. I 58.3 AgI 57.7 CdI 57.3 UI3 57. KI 57. LiI I (M5N45N45).pos 57. CdI 56.8 AgI I 3d5.pos 68.4 NaI 68.8 KI 69. CdI 69,4 AgI 69.7 LiI 69.9 I 6.3 UI3 6.5 ICl 6.5 ICl3 63.3 IO5 63.5 NaIO3 64. NaIO3 In (M4N45N45).pos 4.4 In 48.9 InTe3 48.6 CuInSe 48. InP 48. InSe3 47.3 InS3 496.4 InO3 45.8 InI3 45. In(OH)3 44.8 InBr3 44.6 InCl3 43.7 InF3 4.6 InSb In 3d5.pos

4 Line positions 443.8 In 444. CuInSe 444.3 InSb 444.5 InP 444.5 InTe3 444.8 InSe3 444.8 InO3 444.9 InS3 444.9 InCl 445. In(OH)3 445.4 In(acac)3 445.8 InI3 446. InBr3 446. InCl3 446. InF3 Ir 4f7.pos 6.8 Ir 6. IrO 6.7 IrCl3 63.5 KIrCl6 K (LM3M3).pos 5.7 KBr 5. KF 49.3 KSbF6 K p3.pos 9. K4PO7 9.8 KCl 9.8 KI 9.5 KF 93. KBr 93.5 K3PO4 93.7 KSbF6 94.6 K 94.7 KCN Kr 3d.pos 87. Kr in graphite La 3d5.pos 834.8 LaO3 835.8 La 838.8 LaH3 La 4d5.pos.3 LaO3 3.9 La Li s.pos 54.8 Li 54.9 LiOH 55. LiCO3 55.6 LiO 55.7 LiF 56. LiCl 56.8 LiBr Lu 4d5.pos 96.5 LuO3 96.6 Lu 98.5 Lu(SO4)3 Lu 4f7.pos 6.3 Lu Mg (KL3L3).pos 85.6 Mg 8.4 MgO 78.8 MgSO4.7HO 78. MgF Mg s.pos 3.7 Mg(OH) 33. Mg 34. MgAlO3 35. MgF Mg p.pos 49.5 Mg(OH) 49.6 Mg 5.4 MgAlO4 5.4 MgO 5. MgF 5.6 MgSO4.7HO Mn (L3M3M45).pos 586.4 Mn

Line positions 5 585.7 MnO 584.8 MnS 58. MnSO4 Mn p3.pos 638.3 Na4Mn(CN)6 638.5 Mn(C5H5) 638.8 Mn 64.9 MnO 64.9 MnS 64.4 Mn3O4 64.6 MnO3 64.7 MnOOH 64. MnCl 64. MnBr 64.6 MnO 64.6 MnF 644.9 MnSO4 647. KMnO4 Mo (L3M35M45).pos 39. MoSi 38.8 Mo 3. MoOx Mo 3d5.pos 7.7 MoSi 7.9 Mo 7.9 MoB 9. MoS 9.6 MoO 3. MoCl3 3.6 MoCl4 3. MoCl5 3. (NH4)MoO4 3.7 MoOx 3.8 MoO3 N (KVV).pos 396.6 Gd(NO3)3.5HO 385. GaN 379. BN 376.6 NH3 N s.pos 397. GaN 397.7 Si3N4 398. K4Fe(CN)6 398. BN 398.5 Na(N*NN*) 398.7 NH3 398.8 C5H5N/Pyridine 398.9 EtNH 399. PhCN 399.5 HNCONH 399.4 C6HN4/Urotropin 399.8 KCN 4. C4H5N/Pyrrole 4.3 (NH4)SO4 4.4 Et4NCl 4.7 NH4Cl 4. Bu4NHSO4 4.9 Na(NN*N) 43. Pyridine N-oxide 43.8 NaNO 44.7 KPt(NO)6 45.5 R-NO 47.3 NaNO3 48. R-ONO Na (KL3L3).pos 994.3 Na 99. NaI 99.6 NaBr 99.5 NaCO4 99.3 NaCl 99. Na3PO4 989.9 NaOAc 989.8 NaCO3 989.8 NaSO4 989.8 NaO 989.7 NaHPO4 989.4 NaNO3 989.4 NaPO3 989. NaHPO4 988.6 NaF 987.7 NaSiF6 987. NaBF4 Na s.pos 7.8 NaN3 7.8 NaCO4 7. Na3PO4 7. NaOAc 7. NaF

6 Line positions 7. NaSO4 7.4 NaNO3 7.5 NaCO3 7.5 NaHPO4 7.6 NaI 7.6 NaPO3 7.6 NaCl 7.7 NaSiF6 7.7 NaBr 7.8 Na 7. NaHPO4 7.5 NaO 7.7 NaBF4 Nb (M45N3V).pos 67.8 Nb 65.6 NbHx 6.6 NbO5 Nb 3d5.pos.4 Nb 3. NbHx 3.7 NbO 3.8 NbN 6.5 KNbO3 7. NbBr5 7.6 NbO5 7.7 NbS 8. NbCl5 Nd 3d5.pos 98.8 Nd 98. NdO3 984.9 Nd(SO4)3 Nd 4d.pos.8 NdO3.5 Nd(SO4)3 Ne (KL3L3).pos 88. Ne in Fe Ne s.pos 86.6 Ne in Au 863. Ne in graphite 863.4 Ne in Fe Ni (L3M45M45).pos 846. Ni 84.4 Ni(acac) 84.4 NiF Ni p3.pos 85.7 Ni 85.8 NiS 854.4 NiO 855.7 Ni(acac) 855.9 Ni(OH) 856. NiO3 856.7 NiCl 856.8 NiSO4 857. Ni(NO3) 857.5 NiF.4HO 86. KNiF6 O (KL3L3).pos 55. PbO 53. PbO 5.8 ZrO 59.7 CaCO3 59.3 CaO 58.8 CaSiO3 58.7 CaSO4 58.6 Al(OH)3 58.5 AlO3 57.9 NaPO3 57.7 HO 57.7 NaAlSi3O8 56.8 SiO O s.pos 59.3 CrO 59.5 NiO 59.6 FeO3 59.8 FeO 59.9 CoO3 53. Fe3O4 53. K4PO7 53. Co3O4 53. CrO3 53. CoO 53.4 K3PO4

Line positions 7 53.6 NaSiO*3.HO 53. AlO3/sapphire 53. Ni(OH) 53.4 Al(OH)3 53.4 CaCO3 53.5 CrO3 53.6 NaCO3 53.7 BeO 53.7 R-O-CO*-Ph 53.8 NiO3 53. NiSO4 53. KClO4 53. p-benzoquinone 53. PhCONH 53. R-O-CO*-(CH)n- 53.3 KClO3 53.5 NaSiO3.HO* 53.9 -(CH)n-OH 533. BO3 533. Ba(NO3) 533. SiO 533. R-O*-CO-Ph 533. HO 533.5 Hydroquinone 533.6 R-O*-CO-(CH)n- Os 4f7.pos 5.7 Os 5.9 KOsI6 5. OsO 5. Os(HSO3) 5.9 KOsBr6 53. OsCl3 53. KOsCl6 53.4 KOs(NO)Cl5 55. KOsO(OH)4 P (KL3L3),pos 848.6 NaPO3 857.3 GaP 858.4 InP 856. P/red 85.5 Na3PO4 845. NH4PF6 848. P4O 853. P4S 849.9 Na4PO7 P p3.pos 8.3 Zn3P 8.9 InP 9.4 GaP 9.8 ZnP 3.7 P/red 3.9 Ph3P 3.5 Ph3PS 3.5 Ph3PO 3.8 Na3PO4 3.9 AlPO4 33. NaHPO4 34. NaHPO4 34.7 NaPO3 34.7 (PhO)3P 35. P4O 37.7 NH4PF6 33.6 Na4PO7 Pb (N6O45O45).pos 96.3 Pb 95.5 PbTe 94.8 PbSe 94.6 PbS 93.4 PbI 93. PbO 9.9 PbO 9.6 PbBr 9. PbCl 9. Pb(OH) 9.7 Pb(NO3) 9.6 PbF 9. PbSO4 Pb 4f7.pos 36.8 Pb 37.3 PbTe 37.3 PbO 37.4 PbO 37.5 PbS 37.6 PbSe 38. Pb(OH) 38. Ph4Pb 38.5 PbI 38.6 PbSO3 38.8 PbBr 38.8 PbF 38.9 PbCl 39.3 Pb(NO3)

8 Line positions 4. PbSO4 Pd (M4N45N45).pos 33. KPdCl4 37.8 Pd Pd 3d5.pos 335. Pd 336.3 PdO 336.4 PdI 336.6 Pd(Ph3P) 337. PdBr 337.7 KPdBr4 337.8 PdCl 337.9 PdO 337.9 KPdCl4 338.6 Pd(OAc) 338.8 KPd(NO)4 34.3 KPdCl6 Pm 3d5.pos 33..5 PmCl3 Pr 3d5.pos 93.8 Pr 933.6 PrO3 935.3 PrO Pr 4d.pos 6. PrO3 6. PrO Pt (M4N67N67).pos 4.5 Pt 35. KPtCl4 Pt (M5N67N67).pos 96.7 Pt Pt 4f7.pos 7. Pt 7.4 Pt(Ph3P)3 7.4 Pt(Ph3P)4 7.5 PtSi 7.6 IPt(Me3P)/cis 7.6 KPtBr4 7.6 Pt(OH) 7.7 IPt(Me3P)/trans 73. PtSi 73. ClPt(Ph3P)/cis 73.4 KPtCl4 73.4 KPtI6 73.4 Pt(NH3)4Cl 73.6 PtCl 74. PtO 74.6 KPtBr6 75. PtO 75.4 KPtCl6 75.5 PtCl4 75.9 Cl4Pt(Et3P) 76.3 Pt(NH3)6Cl4 77.6 KPtF6 Rb 3d5.pos 9.8 RbF 9.9 RbCl. Rb3PO4. RbBr.4 RbI.5 Rb Re 4f7.pos 4.5 Re 43. ReO 43.9 Cl3ReO(Ph3P) 44. KReCl6 46.8 ReO3 Rh 3d5.pos 37. Rh 37.4 ClRh(Ph3P)3 38.5 KRhO 38.6 RhI3 38.7 RhO3 38.8 CaRhO4 39.4 RhWO6 39.8 K3RhCl6 3. RhCl3.3HO 3. RhCl3 3.5 K3Rh(NO)6

Line positions 9 3. K3RhF6 Ru 3d5.pos 8. Ru 8.9 RuO 8.8 RuCl3 8.5 RuO3 83.3 RuO4 84. BaRuO4 S (KL3L3).pos 6. NiS 5.8 FeS/Pyrite 5.6 WS 3.5 ZnS 3.4 S.8 NaS*SO3 8. CuSO4 7.6 NaSS*O3 7.3 NaSO3 6. SO 5.9 NaSO4.5 SF6 S p.pos 6.8 PbS 6.6 FeS 6.7 CdS 6. NHCSNH 6.3 ZnS 6.8 NiS 6.8 NaS*SO3 6.8 WS 63. FeS/Pyrite 63. PhS 63. Cysteine 63.7 CS 63.8 S 64.3 Thiophene 64.4 PhSSPh 66.3 PhSONa 66.5 MeSO 67.4 SO 67.6 NaSO3 68. p-nhc6h4so3na 68.6 NaSS*O3 69. MeSO 69. CuSO4 69.4 NaSO4 69.7 CaSO4 74.4 SF6 Sb (M4N45N45).pos 464.5 Sb 46. SbS5 46. SbS3 459.7 SbO3 454.4 KSbF6 Sb 3d5.pos 58. Bu3Sb 58. Sb 58.6 AlSb 58.9 Ph3Sb 59.3 SbS5 59.5 SbS3 53. SbO3 53.8 SbO5 53.9 KSbF6 Sc p3.pos 398.6 Sc 4.7 ScN 4.4 ClSc(C5H5) 4.8 ScO3 4.9 ScO3 Se (L3M45M45).pos 37. Se 34. PhSe 34.3 PhSe 3.9 ClSePh 3. ISePh 3.9 PhSeO 3.6 SeO 3. HSeO3 98. HSeO4 Se 3d5.pos 53.4 PbSe 53.8 CuInSe 54.5 GeSe 54.6 GaSe3 54.8 InSe3

3 Line positions 54.9 AsSe3 55. Se 55.8 PhSe 55.8 PhSe 57.6 PhSeO 57.7 ClSePh 58. ISePh 58.8 SeO 58.8 PhSeO(OH) 59. HSeO3 6. HSeO4 Si (KL3L3).pos 67. MoSi 66.6 Si 63.8 SiC 6.5 Si3N4 6. Mol Sieve A 6. Penthylsilicone 69.6 Mica/Muscovite 69.5 AlSiO5/Sillimanite 69.4 Mol Sieve X 69. Kaolinite 68.8 SiO 68.8 Methylsilicone 68.6 Mol Sieve Y 68.6 SiO/Quartz 66.4 NaSiF6 Si p.pos 98.8 NiSi 99.5 Si 99.5 Fe3Si 99.6 MoSi 99.8 PdSi.5 PtSi.6 SiC.9 Me3SiOSiMe3. Ph4Si. Et3SiOH.3 Ph3SiOSiPh3.4 Mol Sieve A. Si3N4. Mol Sieve X.4 Mica/Muscovite.6 AlSiO5/Sillimanite.7 Phenylsilicone.8 Mol Sieve Y.9 EtSiCl3.9 Methylsilicone 3. AlSiO5/Mullite 3. Kaolinite 3.3 SiO 3.7 SiO/Quartz 4.3 NaSiF6 Sm 3d5.pos 8. Sm 83. SmO3 83.4 Sm(SO4)3 Sn (M4N45N45).pos 437.3 Sn 435.7 SnS 43.6 SnO 43.7 NaSnO3 43.8 NaSnF3 Sn 3d5.pos 484.9 Sn 485.6 SnS 485.6 Ph3SnOH 485.7 SnSe 486.6 Ph4Sn 486.6 SnO 486.7 SmCl 486.7 (NH4)SnCl6 486.7 KSnF3 486.7 NaSnO3 486.9 SnBr 486.9 SnO 487. Ph3SnCl 487.4 SnF 487.4 NaSnF3 487.6 KSnF6 488. SnF4 Sr 3d5.pos 33. SrCO3 33.8 SrF 34.3 SrSO4 34.4 Sr 34.7 Sr(NO3) 35.3 SrO

Line positions 3 Ta (M5N67N67).pos 674.7 Ta Ta 4f7.pos.9 Ta 5.9 KTaO4 6.5 TaO5 6.6 TaS 6.7 TaS 6.9 TaBr5 7.3 TaCl5 7.8 TaF5 9.4 KTaF7 Tb 3d5.pos 4.4 TbO 4.5 TbO3 4. Tb Tb 4d.pos 46. Tb 48.7 TbO3 49. TbO Te (M4N45N45).pos 49. Te 49.8 CdTe 488.5 PhTe 487.3 TeBr4 487. TeO 486.4 (NH4)TeCl6 486.3 ClTePh 486. TeCl4 485.5 TeO3 485.5 NaTeO4 485. Te(OH)6 Te 3d5.pos 57.3 Hg.8Cd.Te 57.7 CdTe 57.7 GeTe 57.9 Te 573.9 PhTe 575.5 KTeO3 575.8 TeI4 576. TeO 576. ClTePh 576.7 TeBr4 576.8 NaTeO4 576.9 TeCl4 576.9 (NH4)TeCl6 577. Te(OH)6 577.3 TeO3 Th 4d5.pos 675. Th 675.5 ThO Th 4f7.pos 333. Th 334.4 ThO 336.5 ThF4 Ti (L3M3M45).pos 49. Ti 48. TiC 49.8 NaTiF6 Ti p3.pos 454. Ti 454.4 TiB 454.6 TiC 455. TiO 455.8 TiN 457. ClTi(C5H5) 458.5 TiCl4 458.5 BaTiO3 (cubic/tetra) 458.7 TiO 459. TiO (anatase/rutile) 46.6 NaTiF6 Tl 4f7.pos 7.5 TlO3 7.7 Tl 8.5 TlI 8.7 TlS 8.7 Tl4S3 9. TlCl 9. TlBr 9. TlF

3 Line positions Tm 4d.pos 75.4 Tm 76.6 TmO3 78.3 Tm(SO4)3 U 4f7.pos 377.4 U 378.3 UCl3 378.4 UBr3 379. USe3 379.4 US3 379.9 UBr4 38. UOCl 38. US 38. UF3 38. UOBr 38. UCl4 38. UO 38.3 UOCl 38.3 USe 38.4 UOBr 38.5 UOBr 38.5 UTe3 38.7 U3O8 38.7 CaUO4 38. UOBr 38.3 UTe3 38.3 UO3 38.6 UOCl 38.6 U(SO4) 38.9 UCl5 38. UF4 38.4 KUF6 383. UOF 384.9 UF6 V (L3M3M45).pos 47. V 468. VO5 468.6 VO V p3.pos 5. V 5.9 V(C5H5) 53.3 K4V(CN)6 54. V(acac)3 54.4 VN 55. VO(acac) 56.3 VO 56.4 VOCl 57.3 Na3VO4 57.6 VO5 W (M5N67N67).pos 77.8 WS 73.9 HWO4 73.8 WO3 7. NaWO4 W 4f7.pos 3.3 W 3.5 WC 3.7 WO 33. WS 35. CaWO4 35.7 WO3 35.9 WBr6 36. HWO4 36.3 NaWO4 36.3 WBr5 36.3 Al(WO4)3 36.9 WCl6 37. WOCl4 Xe (M4N45N45).pos 545. Xe in graphite 544.8 Xe in Fe 54.4 Na4XeO6 Xe 3d5.pos 668.9 Xe in Au 669.6 Xe in Cu 669.7 Xe in graphite 67. Xe in Fe 674. Na4XeO6 Y (M45N3V).pos 4.3 Y 3.3 YHx 7.8 YO3 Y 3d5.pos

Line positions 33 55.8 Y 56. YHx 57. YO3 6. Y(SO4)3 Yb 4d5.pos 8.4 Yb 85.4 YbO3 87.3 Yb(SO4)3 Zn (L3M45M45).pos 99. Zn 99.3 ZnTe 989.7 ZnS 989.4 ZnCl 988.7 ZnI 987.7 Zn(acac) 987.7 ZnO 987.3 ZnBr 986. ZnSO4 986. ZnF 989.5 ZnSe Zn p3.pos.9 ZnP.4 Zn(acac).6 ZnS.7 Zn.8 ZnF.9 ZnCl. ZnO.5 ZnI 3. ZnSO4 3.4 ZnBr Zr (M45N3V).pos 48.6 Zr 45.3 ZrHx 4.9 ZrO Zr 3d5.pos 79. Zr 79.6 ZrHx 83.3 ZrO 84. KZrF6 85.3 ZrF4

Auger Parameters All photoelectron lines are in BE, all Auger lines are in KE [,, 3]! The Auger parameters are the sum of the energy of the photoelectron line (BE) and Auger line (KE). The values are saved in the directoriy Unifit_6_User_Files\auger parameters\*.aup. Ag 3d5 + Ag (M4N45N45).aup 77.=368.8+358. Mg97Ag3 76.=368.+357.8 Ag 75.3=368.+357. AgS 75.=367.8+357.4 AgSe 74.5=367.8+356.7 AgO 74.=368.+356. AgI 74.=367.4+356.6 AgO 73.=367.7+355.3 AgF 7.9=367.3+355.6 AgF 7.=367.8+354. AgSO4 Al p + Al (KL3L3).aup 466.=7.9+393.3 Al 464.8=73.6+39. AlAs 463.=74.+389. AlN 46.=73.9+388. AlO3/alpha 46.5=73.7+387.8 AlO3/gamma 46.=74.+387.9 AlO3/sapphire 46.8=74.+387.6 AlOOH/boehmite 46.5=74.6+386.9 AlSiO5/sillimannite 46.4=74.3+387. Mica/muscovite 46.=74.3+387.7 Al(OH)3/bayerite 46.3=74.8+385.5 H Zeolon 46.6=73.7+386.9 Mol Sieve A As 3d + As (L3M45M45).aup 66.5=4.5+5. As 66.4=43.5+.9 AsI3 66.=4.+5. GaAs 65.4=43.4+. AsS3 63.9=4.8+. Ph3As 63.8=44.3+9.5 Ph3AsO 63.6=44.9+8.7 AsO3 63.5=46.+7.4 AsO5 63.4=45.3+8. AsBr3 6.6=47.8+3.8 KAsF6 Au 4f7 + Au (M5N67N67).aup Ba 3d5 + Ba (M4N45N45).aup 38.6=78.6+6. Ba 377.9=779.9+598. BaO 376.9=78.8+596. BaSO4 376.6=78.7+594.9 BaF Br 3d + Br (L3M45M45).aup 458.=68.9+389. LiBr 459.=74.8+384.4 KBrO3 456.7=68.7+388. KBr Ca p3 + Ca (L3M3M3).aup 644.=345.9+98. Ca 639.8=347.3+9.5 CaO 64.=348.3+9.9 CaCl 636.8=347.9+88.9 CaF 638.8=347.+9.8 CaCO3 Cd 3d5 + Cd (M4N45N45).aup 789.=45.+384. Cd 787.6=45.+38.4 CdTe 786.7=45.+38.7 CdSe 786.6=45.3+38.3 CdS 786.6=44.+38.4 CdO 786.6=45.4+38. CdI 784.9=45.9+379. CdF Co p3 + Cu (L3M45M45).aup 55.8=783.6+768.3 CoSiF6 55.=778.+773. Co 55.3=78.7+768.6 Co(NH3)6Cl3 548.7=78.9+766.8 K3Co(CN)6 Cr p3 + Cr (L3M3M45).aup.5=574.3+57. Cr 99.7=84.+5.7 Au

Auger Parameters 35 Cs 3d5 + Cs (M4N45N45).aup 9.9=74.+568.7 CsOH 9.3=73.9+568.4 CsSO4 Cu p3 + Cu (L3M45M45).aup 85.=936.+96. CuF 85.7=933.8+97.9 CuO 85.3=93.7+98.6 Cu 85.5=935.+95.3 CuCl 849.4=93.8+97.6 CuInSe 849.=93.5+96.6 CuO 848.=93.5+95.5 CuCl F s + F (KL3L3).aup 34.4=689.+65.4 (-CF-CF-)n 34.7=684.5+656. CuF 34.5=684.5+656. CdF 34.=684.8+655.4 CaF 34.=685.8+654.4 MgF 339.8=685.+654.7 LiF 339.8=687.+65.8 NaBF4 339.7=685.9+653.8 CsF 339.6=685.5+654. Na3AlF6 339.5=684.5+655. NaF 339.=686.+653. NaSiF6 Fe p3 + Fe (L3M45M45).aup 4.3=77.4+7.9 FeB 49.3=76.9+7.4 Fe Ga 3d + Ga (L3M45M45).aup 86.8=8.7+68. Ga 85.6=9.3+66.3 GaAs 84.9=9.3+65.6 GaP 84.=9.5+64.5 GaN 8.9=.5+6.4 GaO3 Ge 3d + Ge (L3M45M45).aup 74.5=9.3+45. Ge 74.=3.5+43.7 GeS 73.6=3.7+4.9 GeSe 7.4=3.7+37.7 GeO 69.=33.3+35.7 NaGeF6 I 3d5 + I (M4N45N45).aup 37.7=69.4+58.3 AgI 37.6=6.3+57.3 UI3 36.7=69.7+57. LiI 35.7=68.7+57. KI In 3d5 + In (M4N45N45).aup 854.=443.8+4.4 In 853.4=444.5+48.9 InTe3 85.7=444.+48.6 CuInSe 85.6=444.6+48. InP 85.5=444.5+48. InSe3 85.=444.7+47.3 InS3 85.6=445.8+45.8 InI3 85.8=444.4+46.4 InO3 85.8=446.+44.8 InBr3 85.6=446.+44.6 InCl3 849.9=446.+43.7 InF3 K p3 + K (LM3M3).aup 543.8=93.+5.7 KBr 543.=93.7+49.3 KSbF6 54.6=9.5+5. KF Mg p + Mg (KL3L3).aup 35.=49.6+85.6 Mg 3.8=5.4+8.4 MgO 3.4=5.6+78.8 MgSO4.7HO 9.=5.+78. MgF Mn p3 + Mn (LM3M45).aup 7.3=64.6+585.7 MnO 5.7=64.9+584.8 MnS 5.4=639.+586.4 Mn 3.7=64.7+58. MnSO4 Mo 3d5 + Mo (L3M45M45).aup 66.8=8.+38.8 Mo 66.7=7.7+39. MoSi 64.9=3.7+3. MoOx N s + N (KVV).aup 83.9=47.3+396.6 Gd(NO3)3.5HO 78.=397.+385. GaN

36 Auger Parameters 777.3=398.+379. BN 775.4=398.8+376.6 NH3 Na s + Na (KL3L3).aup 66.=7.8+994.3 Na 6.8=7.6+99. NaI 6.3=7.5+989.8 NaO 6.3=7.7+99.6 NaBr 6.9=7.6+99.3 NaCl 6.3=7.5+989.8 NaCO3 6.3=7.8+99.5 NaCO4 6.3=7.+99. Na3PO4 6.=7.5+989.7 NaHPO4 6.=7.6+989.4 NaPO3 6.=7.+989. NaHPO4 6.=7.+989.8 NaSO4 6.=7.+989.9 NaOAc 6.8=7.4+989.4 NaNO3 59.8=7.7+987. NaBF4 59.8=7.+988.6 NaF 59.4=7.7+987.7 NaSiF6 Nb 3d5 + Nb (M45N3V).aup 37.=.4+67.8 Nb 369.7=8.+6.6 NbO5 368.6=3.+65.6 NbHx Ne s + Ne (KL3L3).aup 68.4=863.4+88. Ne in Fe Ni p3 + Ni (L3M45M45).aup 699.8=857.4+84.4 NiF 698.9=85.7+846. Ni 698.=855.7+84.4 Ni(acac) O s + O(KL3L3).aup 43.8=58.7+55. PbO 4.=59.+53. PbO 4.7=53.9+5.8 ZrO 4.=53.3+59.7 CaCO3 4.8=533.+57.7 HO 4.7=53.+58.7 CaSO4 4.6=53.3+59.3 CaO 4.=53.4+58.8 CaSiO3 4.=53.5+58.6 Al(OH)3 39.9=53.+57.9 NaPO3 39.6=53.8+56.8 SiO 39.6=53.9+57.7 NaAlSi3O8 39.=53.6+58.5 AlO3 P p + P (KL3L3).aup 987.3=8.9+858.4 InP 986.8=3.7+856. P/red 986.7=9.4+857.3 GaP 986.5=33.3+853. P4S 983.8=35.8+848. P4O 983.5=33.6+849.9 Na4PO7 983.3=3.8+85.5 Na3PO4 983.3=34.7+848.6 NaPO3 98.9=37.7+845. NH4PF6 Pb 4f7 + Pb (N6O45O45).aup 33.=36.8+96.3 Pb 3.7=37.3+95.4 PbTe 3.4=37.6+94.8 PbSe 3.=37.5+94.6 PbS 3.7=38.4+93.3 PbI 3.4=38.8+9.6 PbBr 3.=38.9+9. PbCl 3.5=37.4+93. PbO 3.=38.5+9.7 Pb(NO3) 3.=37.3+9.8 PbO 3.=4.+9. PbSO4 9.9=38.+9.9 Pb(OH) 9.=38.5+9.6 PbF Pd 3d5 + Pd (M4N45N45).aup 66.9=335.+37.8 Pd 66.=337.9+33. KPdCl4 Pt 4f7 + Pt (M4N67N67).aup.7=7.+4.5 Pt 8.6=73.4+35. KPtCl4 S p + S (KL3L3).aup 78.9=6.8+6. NiS 78.8=63.+5.8 FeS/Pyrite 78.4=6.8+5.6 WS 77.=63.8+3.4 S 77.=69.+8. CuSO4 76.=68.6+7.6 NaSS*O3 75.8=6.3+3.5 ZnS

Auger Parameters 37 75.3=69.4+5.9 NaSO4 74.9=67.6+7.3 NaSO3 74.9=74.4+.5 SF6 74.6=6.8+.8 NaS*SO3 73.6=67.4+6. SO Sb 3d5 + Sb (M4N45N45),aup 99.7=58.+464.5 Sb 99.6=59.5+46. SbS3 99.5=59.3+46. SbS5 989.7=53.+459.7 SbO3 987.3=53.9+454.4 KSbF6 Se 3d5 + Se (L3M45M45).aup 36.=55.+37. Se 36.4=58.8+3.6 SeO 36.=55.8+34.3 PhSe 36.=59.+3. HSeO3 359.8=55.8+34. PhSe 359.5=57.6+3.9 PhSeO 359.=6.+98. HSeO4 Si p + Si (KL3L3).aup 76.8=99.6+67. MoSi 76.=99.5+66.6 Si 74.4=.6+63.8 SiC 73.5=.+6.5 Si3N4 7.3=3.7+68.6 SiO/Quartz 7.=.4+69.6 Mica/Muscovite 7.=3.+69. Kaolinite 7.5=.4+6. Mol Sieve A 7.=.6+69.5 AlSiO5/Sillimanite 7.7=4.3+66.4 NaSiF6 Sn 3d5 + Sn (M4N45N45).aup 9.=484.9+437.3 Sn 9.3=485.6+435.7 SnS 99.=486.6+43.6 SnO 98.=487.4+43.8 NaSnF3 Ta 4f7 + Ta (M5N67N67).aup 696.6=.9+674.7 Ta Te 3d5 + Te (M4N45N45).aup 65.=57.9+49. Te 64.=576.7+487.3 TeBr4 63.5=57.7+49.8 CdTe 63.3=576.9+486.4 (NH4)TeCl6 63.=576.+487. TeO 63.=576.9+486. TeCl4 6.8=577.3+485.5 TeO3 6.5=576.+486.3 ClTePh 6.4=573.9+488.5 PhTe 6.3=576.8+485.5 NaTeO4 6.=577.+485. Te(OH)6 Ti p3 + Ti (L3M3M45).aup 873.=454.+49. Ti 87.8=454.6+48. TiC 87.4=46.6+49.8 NaTiF6 V p3 + V (L3M3M45).aup 984.=5.+47. V W 4f7 + W (M5N67N67).aup 76.=33.+77.8 WS 76.=36.+73.9 HWO4 759.9=36.+73.8 WO3 758.3=36.3+7. NaWO4 Xe 3d5 + Xe (M4N45N45).aup 5.5=674.+54.4 Na4XeO6 5.=67.+544.8 Xe in Fe 4.9=669.7+545. Xe in graphite Y 3d5 + Y (M45N3V).aup 8.=55.9+4.3 Y 79.5=56.+3.3 YHx 76.4=58.6+7.8 YO3 Zn p3 + Zn (L3M45M45).aup 3.8=.7+99. Zn.9=.6+99.3 ZnTe.5=.+989.5 ZnSe.3=.6+989.7 ZnS.3=.9+989.4 ZnCl.=.5+988.7 ZnI.7=3.4+987.3 ZnBr 9.8=.+987.7 ZnO 9.=3.+986. ZnSO4

38 Auger Parameters 9.=.4+987.7 Zn(acac) 8.=.8+986. ZnF Zr 3d5 + Zr (M45N3V).aup 37.6=79.+48.6 Zr 35.=83.3+4.9 ZrO 34.9=79.6+45.3 ZrHx

3 Experimental Files 39 3 Experimental Files 3. XPS Data 3.. VG ESCALAB i-xl (*.TAP;*.TXT) Comment: All necessary acquisition parameters are available Example: multiregion measurement with 8 spectra Folder: Install-CD:\XPS_Measurement_Reference_Data\-ESCALAB Eclipes(.TAP)\ ESCALAB-MultiReg-Ver-with-lense-name.TAP Eclipse Standard Data Transfer Format v. File: 'C:\DAT\NEU' contains 8 spectra. Spectrum: Name (Spectrum): Al p Label: St EK neu Data Version: Technique: XPS Acquired at 4:56:33 on Monday 8--997 ANALYSER: Mode: CAE Value: Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans: 5 Correction: SAMPLE: Charging: Polar angle: Azimuth: Rotation: PROFILE INFO: None

4 Experimental Files INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 4.6 Abscissa end: 49.6 Abscissa increment:.4 Ordinate label: Ordinate units: Counts Ordinate data: 45 values Ordinate minimum, maximum: 73.5 435.98 48.8 463.7 483.7 49.83 38.93 Spectrum: Name (Spectrum): C s Label: St EK neu Data Version: Technique: XPS Acquired at 4:56:33 on Monday 8--997 ANALYSER: Mode: CAE Value: Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans: Correction: SAMPLE: Charging: Polar angle: Azimuth: Rotation: PROFILE INFO:

3 Experimental Files 4 None INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 8.6 Abscissa end: 6.6 Abscissa increment:.4 Ordinate label: Ordinate units: Counts Ordinate data: 66 values Ordinate minimum, maximum: 659.8 43.5 9.85 975.97 74.8 69.68 Spectrum: 3 Name (Spectrum): Fe p Label: St EK Data Version: Technique: XPS Acquired at 4:56:33 on Monday 8--997 ANALYSER: Mode: CAE Value: Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans: Correction: SAMPLE: Charging: Polar angle: Azimuth: Rotation: PROFILE INFO:

4 Experimental Files None INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 748.6 Abscissa end: 783.6 Abscissa increment:.4 Ordinate label: Ordinate units: Counts Ordinate data: 876 values Ordinate minimum, maximum: 338.8 694.6 9387.9 934.67 99.9 3343.3 349.8 Spectrum: 4 Name (Spectrum): Na s Label: St EK neu Data Version: Technique: XPS Acquired at 4:56:34 on Monday 8--997 ANALYSER: Mode: CAE Value: Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans: 8 Correction: SAMPLE: Charging: Polar angle: Azimuth: Rotation:

3 Experimental Files 43 PROFILE INFO: None INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 43.6 Abscissa end: 49.6 Abscissa increment:.4 Ordinate label: Ordinate units: Counts Ordinate data: 4 values Ordinate minimum, maximum: 3493.5 937.6 3689 3877.8 378.6 3847.3 3846.7 3683. Spectrum: 5 Name (Spectrum): O s Label: St EK neu Data Version: Technique: XPS Acquired at 4:56:33 on Monday 8--997 ANALYSER: Mode: CAE Value: Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans: 7 Correction: SAMPLE: Charging: Polar angle:

44 Experimental Files Azimuth: Rotation: PROFILE INFO: None INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 94.6 Abscissa end: 96.6 Abscissa increment:.4 Ordinate label: Ordinate units: Counts Ordinate data: 45 values Ordinate minimum, maximum: 6.7 376.7 4.45 97.5 98.3 8.5 94.5 Spectrum: 6 Name (Spectrum): Si p Label: St EK neu Data Version: Technique: XPS Acquired at 4:56:34 on Monday 8--997 ANALYSER: Mode: CAE Value: Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans: Correction: SAMPLE: Charging:

3 Experimental Files 45 Polar angle: Azimuth: Rotation: PROFILE INFO: None INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 373.6 Abscissa end: 388.6 Abscissa increment:.4 Ordinate label: Ordinate units: Counts Ordinate data: 376 values Ordinate minimum, maximum: 8.43 833.8 5.45 45.4 489.8 556.43 568.73 Spectrum: 7 Name (Spectrum): Si p Label: St EK neu Data Version: Technique: XPS Acquired at 6:5:43 on Monday 8--997 ANALYSER: Mode: CAE Value: Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans: Correction: SAMPLE:

46 Experimental Files Charging: Polar angle: Azimuth: Rotation: PROFILE INFO: None INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 373.6 Abscissa end: 394.6 Abscissa increment:.4 Ordinate label: Ordinate units: Counts Ordinate data: 56 values Ordinate minimum, maximum: 79 97. 433.98 443.35 44.97 85.5 884.63 86.65 Spectrum: 8 Name (Spectrum): Survey Label: St EK neu Data Version: Technique: XPS Acquired at 4:47:7 on Monday 8--997 ANALYSER: Mode: CAE Value: 7 Magnification: Work function: 4.55 Width x: Width y: Source azimuth: Polar angle: Target bias: Lens mode ID: 8 Lens name: Large Area XL SOURCE: Type: AL KALPHA Non-Monochromated Energy: 486.6 Voltage: Current: Width x: Width y: Polar angle: Azimuth: Atomic number: Atoms: Charge: Name: Al K-alpha SIGNAL: Time:. seconds Scans:

3 Experimental Files 47 Correction: SAMPLE: Charging: Polar angle: Azimuth: Rotation: PROFILE INFO: None INSTRUMENT INFO: Model: EscaLab -IXL Transmission function coefficients: : 4.658 : -.5464 3:.43657 4: -.697 Abscissa label: Kinetic Energy Abscissa units: ev Abscissa start: 36.6 Abscissa end: 486.6 Abscissa increment:.5 Ordinate label: Ordinate units: Counts Ordinate data: 7 values Ordinate minimum, maximum: 3.64 9.5 3993.9 368.5 3669.4 49.4 449.588 3.486 3.. ESCALB Avantage (*.AVG) Comment: All necessary acquisition parameters are available Single spectrum, profile of one region, line scan of one region, multipoint (area) scan of one region are saved Example: profile measurement with 5 Znp 3/ spectra Folder: Install-CD:\XPS_Measurement_Reference_Data\-Avanatge(.AVG)\ Avantage- Profile-Znp3.AVG ;======================================================================== ;Dump of DataSpace 'C:\Documents and Settings\vgengineer\Desktop\DW\Twin\profile\Depth Profile\Manual Source\Manual Point\Znp3.VGD' ; on /5/6 at :9:4 ;======================================================================== ;[Note that this file can be reloaded only if certain syntax rules are NOT broken] $FORMAT=3 ;Summary Properties present: $PROPERTIES=SUM DS_EXT_SUPROPID_TITLE : VT_BSTR = 'Znp3' DS_EXT_SUPROPID_SUBJECT : VT_BSTR = 'VG Scientific acquisition datafile' DS_EXT_SUPROPID_AUTHOR : VT_BSTR = 'vgengineer' DS_EXT_SUPROPID_COMMENTS : VT_BSTR = '' DS_EXT_SUPROPID_CREATED : VT_DATE = /5/6 3:35:36

48 Experimental Files DS_EXT_SUPROPID_SAVED : VT_DATE = /5/6 4:3:53 ;Standard Properties present: $PROPERTIES=STD DS_GEPROPID_TECHNIQUE : VT_I4 = 7 DS_GEPROPID_INSTRUMENT : VT_BSTR = 'ESCALab5' DS_GEPROPID_SOURCE_TYPE : VT_I4 = DS_GEPROPID_GUID : VT_BSTR = '{83BE65-8BB-4D75-858-536FEE4F4F7}' DS_GEPROPID_SOURCE_GUID : VT_BSTR = '{83BE65-8BB-4D75-858-536FEE4F4F7}' DS_GEPROPID_EXPT_RUN_GUID : VT_BSTR = '{7F444-B99-464- 893C-A584C35}' DS_GEPROPID_VALUE_TYPE : VT_I4 = DS_GEPROPID_VALUE_LABEL : VT_BSTR = 'Counts' DS_GEPROPID_VALUE_SYMBOL : VT_BSTR = 'C' DS_GEPROPID_VALUE_UNIT : VT_BSTR = '' DS_DATASTORAGEID_DATA_STORAGE_METHOD : VT_I4 = DS_SOPROPID_ENERGY : VT_R4 = 53.599976 DS_SOPROPID_GUN : VT_I = - DS_STPROPID_POS_X : VT_I4 = DS_STPROPID_POS_Y : VT_I4 = DS_STPROPID_POS_Z : VT_I4 = DS_STPROPID_POS_TILT : VT_I4 = DS_STPROPID_POS_AZIM : VT_I4 = DS_ACPROPID_START_TIME : VT_DATE = /5/6 3:36: DS_ACPROPID_END_TIME : VT_DATE = /5/6 4:3:53 DS_ACPROPID_ACQ_TIME : VT_R4 =.9996 DS_ACPROPID_PERIODS : VT_I4 = 6 DS_ACPROPID_CORRECTION : VT_R4 =. DS_ACPROPID_MODE : VT_I = DS_ACPROPID_DIRECTION : VT_I = DS_ACPROPID_SIG_COMP : VT_BOOL = False DS_ACPROPID_EV_SCALE : VT_I = DS_DEPTHPROFILE_IONGUNPROPID_CURRENT : VT_R4 =. DS_DEPTHPROFILE_IONGUNPROPID_ENERGY : VT_R4 =. DS_DEPTHPROFILE_IONGUNPROPID_RASTER_WIDTH : VT_R4 =. DS_DEPTHPROFILE_IONGUNPROPID_RASTER_HEIGHT : VT_R4 =. DS_DEPTHPROFILE_IONGUNPROPID_ANGLETOSURFACE : VT_R4 = 45. DS_DEPTHPROFILE_IONGUNPROPID_IONTYPE : VT_BSTR = 'Ar+' DS_DEPTHPROFILE_IONGUNPROPID_DESCRIPTION : VT_BSTR = '' DS_DEPTHPROFILE_PROPS_ROTATION : VT_I4 = DS_ANPROPID_MODE : VT_I = DS_ANPROPID_PASS : VT_R4 = 5. DS_ANPROPID_WORK_FTN : VT_R4 = 4.444 DS_ANPROPID_LENS_MODE_NAME : VT_BSTR = 'LargeAreaXL' DS_ANPROPID_TXFN_COEFFS : VT_I4 = ; Property list for DS_ANPROPID_TXFN_COEFF (expecting ) follows: DS_ANPROPID_TXFN_COEFF[] : VT_R4 =. ;Extended Properties present: $PROPERTIES=EXT ; NONE found ;======================================================================== ;DataSpace has data axes as follows: ; #= start, end, numspaceaxes $DATAAXES=,#empty# =, 75, =, 5, ;======================================================================== ;DataSpace has 3 space axes as follows:

3 Experimental Files 49 ; #= start, width, numpoints, axistype, linear, symbol, unit, label $SPACEAXES=3 = 3.6,., 76, ENERGY, LINEAR, 'E', 'ev', 'Energy' =., 6.84, 6, ETCHTIME, NON-LINEAR, 'EtchTime', 's', 'Etch Time' =.,., 6, ETCHLEVEL, LINEAR, 'EtchLevel', '', 'Etch Level' ;======================================================================== ;Values on axis where axis = ; $DATA=*, LIST@ = 986.5, 979.575, 98.5, 978.75 LIST@ 4= 8997.5, 976.95, 986.95, 9.875 LIST@ 8= 936.35, 97.4, 9.75, 946.35 LIST@ 64= 863.5, 7865.75, 7767.975, 786.8 LIST@ 68= 7686.75, 783.65, 7677.975, 763. LIST@ 7= 7787.65, 769.85, 744.75, 7448.35 ;Values on axis where axis = ; $DATA=*, LIST@ = 9433.975, 939.85, 93.775, 969.775 LIST@ 4= 957.475, 93.475, 9.95, 95.775 LIST@ 8= 945.35, 8944., 95.5, 97.3 LIST@ 64= 784.95, 773.5, 7549., 753.5 LIST@ 68= 768.75, 766.75, 754., 7395.5 LIST@ 7= 743.875, 76.75, 75.85, 766.55 ;Values on axis where axis = ; $DATA=*, LIST@ = 939.35, 938.5, 96.375, 956.375 LIST@ 4= 93.3, 9573.5, 9358.675, 93.35 LIST@ 8= 9339.5, 934.9, 94.5, 934.85 LIST@ 64= 787.875, 774.9, 765.75, 7777.975 LIST@ 68= 7753., 767.675, 7685.375, 7594.9 LIST@ 7= 7555.375, 756.6, 767.9, 777.55 ;Values on axis where axis = 3; $DATA=*,3 LIST@ = 955.675, 98.5, 955.6, 9474. LIST@ 4= 9437.75, 977.85, 93.7, 9393. LIST@ 8= 97.675, 945.975, 97.475, 97.5 LIST@ 64= 7479.35, 763.75, 745., 759.775 LIST@ 68= 7445.85, 753.5, 757.8, 768.85 LIST@ 7= 7733., 769., 7667.5, 77.5 ;Values on axis where axis = 4; $DATA=*,4 LIST@ = 987.975, 9996.475, 9934.35, 988.5 LIST@ 4= 976.75, 99.5, 99.3, 978.75 LIST@ 8= 973.75, 9586., 965.875, 9657.85 LIST@ 64= 763.55, 7558.35, 744.5, 7548.55 LIST@ 68= 749.3, 739.5, 75.75, 7.975 LIST@ 7= 73.4, 775.95, 756.5, 7798.9 ;Values on axis where axis = 5; $DATA=*,5 LIST@ = 49.7, 459.3, 373.5, 337.35 LIST@ 4= 39., 35.3, 37.75, 3.5 LIST@ 64= 785.3, 763., 7534.5, 749.85 LIST@ 68= 7376.85, 73.375, 746.5, 74.55 LIST@ 7= 765.375, 786.95, 7963.75, 885.675

5 Experimental Files 3..3 VG ESCA3 (*.TAP) Comment: First row: ** + region name Second row: 8 characters number of steps, 8 characters start energy, 8 characters empty, 8 characters step width, 8 characters pass energy, 8 characters excitation energy, 8 characters number of scans, 8 characters time per step Third row to start of next region: 5 characters intensity ten times per row Example: multiregion measurement, survey, 4 single regions (S p, C s, N s, O s) Folder: Install-CD:\Measurement_Reference_Data\ 3-Esca3(.TAP)\ Esca3-MultiReg.TAP **US ****5************.8******5******486.6*********.4****** 8 7 43 4 6 6 33 8 5 77 66 47 39 58 79 84 7 79 9848 9888 9938 9983 9846 987 9869 993 3 3 **Sp *****33************.************486.6**3************** 374 334 383 99 77 79 9 89 93 5 35 6 949 985 8 93 95 97 933 863 87 866 783 885 887 899 893 83 999 89 884 949 98 956 95 97 989 95 934 368 **Cs *****************.************486.6**3************** 837 874 84 8384 837 86 84 784 79 7799 77 7745 745 79 74 6879 6858 6749 6535 6485 99 94 948 97 959 98 936 957 963 996 933 99 974 945 934 998 966 94 99 956 **Ns *****93************.************486.6**5************** 837 875 88 863 835 79 86 778 83 893 7978 8 7998 8 788 867 86 7946 7995 768 893 85 846 84 8675 844 8566 8438 8578 858 885 859 8553 86 8546 8356 877 8669 8597 8595 **Os *****96*************.************486.6**3************** 53 4 7 34 63 33 8 9 46 48 36 36 769 69 998 59 893 735 84 363 39 396 8 96 3365 375 37 397 34