JCPDS-ICDD PDF2 PDF2plus for Windows VERSION 4.1.0 for Release 2007(Set 57+) (Revised Oct. 23, 2007) 1-11-8 TEL:03(5641)1771 FAX 03(5641)1772 E-mail tech@ddmcorp.com URL http://www.ddmcorp.com
1... 3 1.1... 3 1.2... 3 1.3... 6 2... 7 2.1PDF [by PDF-No]... 8 2.1.1 [by Chemical Formula]... 10 2.1.2 [by Chemical Name]... 10 2.1.3 [by Comment]... 10 2.1.4 [by Crystal System]... 11 2.1.5 [by Element]... 11 2.1.6 [by Numeric]... 12 2.1.7 [by Reference]... 12 2.1.8 [by Space Group]... 13 2.1.9 [by Subfile]... 13 2.2... 14 2.3... 15 2.4... 15 3... 17 3.12θ/I... 17 3.2... 17 3.3... 18 4... 19 4.1... 19 4.2... 19 4.3... 19 5... 22 6 (Similarity Index)... 23 6.1 Save Load... 27 7... 28 d 2 2 d... 28 8... 29 Appendix A... 30 Appendix B... 32 Appendix C... 33 1
Appendix CPDF ICDD... 34 Appendix D... 36 Appendix E... 42 Windows Xp... 42 Windows 2000 (Users)... 42 Windows Xp... 42... 43 PDF2plus for Windows... 44 2
PDF2plus for Windows 1.1 Windows 95/98/Me Windows NT 4.0/2000/Xp/Vista CD-ROM DVD 800MB VGA(800x600) 1.2 PDF-2 PDF2 Release 2007CD DVD Setup.exe Setup.exe Setup2.exe Setup.exe PDF-2 Setup2.exe SyBase ODBC PDF2plus for Windows 1 1 ICDD Web E-mail Fax Registration 5 48 Web Windows NT 4.0/2000/Xp/Vista Administrator ICDD PDF-2 Release 2007 Register ICDD Products PDF-2 Administrator 3
PDF-2 License Agreement License Agreement ICDD ICDD 2 Register ICDD Products Register ICDD Products PDF-2 4
Full License PDF2plus for Windows PDF2plus CD-ROM SETUP.EXE Program Files PDF2plus CD-ROM Windows 95/98/Me NT4.0/2000/Xp/Vista PDF2plus CD-ROM D D Windows NT 4.0/2000/Xp/Vista Administrator PDF2plus 800MB PDF2plus WinPDF2.MDB 400MB PDF2plus Release 2007 PDF-2 CD PDF2plus for Windows 540MB 1 Windows 95/98/Me/NT4.0/2000/Xp/Vista 2 PDF2plus CD-ROM 3 4 (O) D: setup <OK> D CD-ROM D 5 UserPDF.mdb WinPDF2.mdb 2 Program Files PDF2plus Access97 5
UserPDF.mdb Access97 WinPDF2.mdb Access2000 PDF2plus 1.3 PDF2plus 1 Windows 95/98/Me/NT4.0/2000/Xp/Vista 2 PDF2plus 3 User Name PDF2plus PDF2plus 4 OK PDF2plus 5 PDF2plus ConfigPDF2.txt UserPDF2=YES UserPDF2=NO PDF2plus 6
Search Search [Show Search Result] [by PDF-No] Chemical Formula Chemical Name Inorganic Name Organic Name Mineral Name Name Fragments Comment Color Mineral Group Code CAS Number Crystal System Crystal System Code Lattice Centering Code Element Organic Chemical Elements Chemical Elements Number of Elements Numeric 3 Strongest Lines 8 Strongest Lines Reduced Unit Cell Parameters Density Reduced Cell Volume Largest d-spacing Reference Principal Authors Journal CODEN Journal Year Space Group Triclinic Trigonal 7
Subfiles Monoclinic Orthorhombic Tetragonal Inorganic Organic Mineral Alloy/Metal Cement & Hydration Ceramic Common Phase Corrosion Deleted Detergent Educational Explosive Hexagonal Cubic Forensic ICSD Intercalate NBS NIST Pharmaceutical Pigment/Dye Polymer Pure ICDD(1-55) Superconducting Materials Zeolite by PDF-No 1 2 2.1PDF [by PDF-No] Release 2003 89-9114 Set 90 Set 65 NIST Set 54 Set 64 2 Release 2004(Set 54+) 3 2 9 PDF ID 00 01 ICSD 8
03 NIST 02 Cambridge Crystal Data Center PDF-4/Organic Set 54 00-054-0001 00-054-2500 1 [by PDF-No] 2 PDF 3 PDF From:PDF OK From:00-052-0001 To:00-052-0005 OK 00-051-0001 00-052-0005 5 0 25 0025 ICDD Sets 001-054 NIST Set 065 ICSD Sets 070-089 PDF 00-001-000100-054-2500 PDF 03-065-000103-065-9802 PDF 01-070-000101-089-9114 4 9
[Card][Book Form Style] 2.1.1 PDF2 00-047-0021 [Ni0.41 Zn0.60 Cu0.02 Sn0.01 Fe2.02 La0.02 O4+x] (*) Sodium Chloride Sodium Chloride* *Sodium Chloride* CAS 10
Organic Phase Inorganic Phase C9 Organic Chemical Elements Number of Elements 110 Chemical Elements 11
Si?? Al OK Search 3 CODEN (*) 12
OK [by Subfile] 1 Inorganic Mineral 1 13
2.2 PDF PDF OK 14
2.3 Clear All Clear OK BOOL AND/OR/NOT Bool Bool Search Query (SF)Subfile (IC)Inorganic Name (OC)Organic Name (MN)Mineral Name (IF)Inorganic Fragments (OC)Organic Name Elements (CE)Chemical Elements (L3)3 Strongest Lines (L8)8 Strongest Lines (RU)Reduced Unit Cell (DN)Density (RC)Reduced Cell Volume Parameters (LL)Largest d-spacing (PA)Principal Author (JC)Journal CODEN (JY)Journal Year (CL)Color (CN)CAS Number (MC)Mineral Group Code 2.4 Chemical Name 1 15
Extract PDF ID Chemical Name Chemical Formula 3 Strong Lines SYS QTY DEL [Card] [Copy] CSV [Print] [Align] [Search] [Save] Option Format [Extract] PDF 16
d/i 2θ/I NBS*Aids83 3.12θ/I Convert [Dspacing] [2Theta] d [Sin Squared Theta(SS)] [Momentum Transfer(Q)] 2 Convert 3.2 [Convert][Wavelength] Input wavelength 17
3.3 [Edit] [Copy] [Card] [Save Card] [Option]/[Format] [Card] [Print] [Card] [Book Form Style] [File] [Close Cards] [Current Card] [All Cards] 18
θ Back Back Print Save (*.BMP) (*.WMF) (*.EMF) GIF(*.GIF) Jpeg *.PGF Copy Back 4.2 [Edit]/[User s Pattern] 5 8 4.3 [Option][Fake Diffractgram] d=2 19
Current All Current 100% All 6 Update Parameter Gaussian Lorentzian K 12 33%66% K1 Close 20
Export XY CSV Print Save BMP Copy Back 8 21
A 1 2 TXT 4 CSV PDF PDF PDF a/b/c/α/β/γ Predefined Format Destination 22
Edit User's Pattern θ PDF-2 Similarity Similarity Index Similarity Index Title 1 & 2 Interplanar Spacings Wavelength d-value, Int d 2 23
-> d-value θ d -> 2theta d θ Imax = 100 0-100 Clear Save Update d I Load 6 Format 2 Load Title 1 PDF Title 2 OK PDF PDF 1 Similarity Similarity Dmax Dmin Derror d 2.0 d2 1/1000 Derror 2.0 d 1.0 (2.0)(1.0)^21/1000=0.002 d 2.0 (2.0)(2.0)^21/1000=0.008 d 24
Ierror (%) 10% 100% 2 10% 200% 10% 30% 10% 10% 10% 2.4% 42.4% Bground Similarity OK Similarity Index Similarity 1 0-100% Similarity Index Similarity Report 25
[Unknown] Similarity 26
Shift 2-Theta Print Save (*.BMP) (*.WMF) (*.EMF) GIF(*.GIF) Jpeg *.PGF Copy Close d i ASCII Appendix B 27
d 2 PDF-2 PDF PDF d 2 d-spacing2theta 2Thetad-spacing Input Wavelength OK 28
PDF2plus for Windows Version 2.xx d/i [Card]/[Book Form Style] 29
PDF 00-048-1136 1 000481136 Gadolinium Oxide Phosphate Silicate Gd3 Si P O9 Monoclinic b axes P21/c 14 6.8041,12.088,9.452,,114.90, 6.99800,0,1,1,20 4.94200,0,2,1,10 4.23700,-1,1,2,40 4.04100,0,1,2,10 3.99800,1,1,1,20 3.46900,1,2,1,10 3.26700,-2,1,1,50 3.04600,-1,1,3,50 3.02200,0,4,0,90 2.96000,-2,2,1,100 2.93500,0,3,2,20 2.91900,1,3,1,20 2.89500,1,1,2,60 2.79100,-1,2,3,40 2 000481136 Gadolinium Oxide Phosphate Silicate 1.5405981 6.99800 (tab) 20 4.94200 (tab) 10 4.23700 (tab) 40 4.04100 (tab) 10 3.99800 (tab) 20 3.46900 (tab) 10 3.26700 (tab) 50 3.04600 (tab) 50 3.02200 (tab) 90 2.96000 (tab) 100 2.93500 (tab) 20 2.91900 (tab) 20 2.89500 (tab) 60 2.79100 (tab) 40 30
31 3
PDF 00-048-1136 32
Example 1 KI CaCO3 ZnS 1.54056 0 4.1 23 d i Enter 3.88 5 3.55 54 3.33 25 3.14 32 3.052 100 2.939 16 2.506 42 2.292 10 2.136 11 2.101 6 2.046 10 1.933 2 1.917 38 1.874 9 1.769 12 1.658 3 1.633 15 1.623 4 1.607 6 1.582 9 1.528 3 1.512 2 1.424 2 1.361 3 33
PDF Powder Diffraction File(PDF) (d) (I/I ) X PDF Set 57 100,500 ISCD(International Society for Crystal Data) POWD12 89,000 Set 70-89 NIST(National Institute of Standard and Technology) 10,000 Set 65 2,000 1,500 500 X PDF PDF Set 36 76mm x 12mm Set 37 CD-ROM(Compact Disk Read Only Memory) Set 49 Set 51 DVD(Digital Video Disk) Set 54(Release 2004) PDF2 540MB CD-ROM ICDD International Centre for Diffraction Data(ICDD) 1941 Joint Committee on Chemical Analysis and X-Ray Diffraction Methods Pennsylvania State University Prof. Wheeler P. Davey American Society for Testing Materials(ASTM) 1969 Joint Committee on Powder Diffraction Standards 1978 International Centre for Diffraction Data(ICDD) 70 Release 2007(Set 1-56+65+70-89) PDF-2 (PDF-2, (PDF-4, PDF-4/Organics Set 1-57) Set 1-57) Experimental entries(sets 1-57 I/O) 100,511 100,511 28,677 ICSD 88,996 66,580 1,644 Cambridge 0 0 282,019 NIST 10,067 5,123 15 Linus Pauling File 0 100,018 0 Inorganic 172,360 245,016 0 Organic 30,728 30,979 312,355 CD-ROM Search Manual Deleted PDF 2 3 4 1950 34
Set 33 33+1950=1983 1983 PDF 1980 NBS*AIDS83 PDF 75mm x 125mm 1987 Deleted Alphabetical Hanawalt 2 Alphabetical Hanawalt 1 MineralsMetals & Alloys Forensics d/i PDF Level-I(PDF-1) PDF 1987 CD-ROM Level-III(PDF-2) PDF-2 PDF-3 200 Release 2004 PDF-2 540MB CD-ROM 640MB DVD(Digital Video Disk) ICDD PDF-2 NBS*AIDS83 (RDB) PDF-4 ICDD ISCD NIST Cambridge Crystal Data Center Organic Phase PDF-4 Organics 2002 Cambridge 2005 PDF-4 Linus Pauling File 78,700 PDF-2 PDF-4 Time-Lock PDF-2 2005 Release 2005(Set 55+) PDF-2 PDF-4 Sybase NBS*AIDS83 PDF2 plus for Windows File NBS*AIDS83 35
Book Form Style 1-10 PDF 1 PDF JCPDS-ICDDPDF(Powder Diffraction File) 2 NBS*AIDS83 20 90(2) 5 2 120(2) 36
10 180(2) (O) (C) A) 1. 2. 3. 4. NposNobs 5. d2.50 3 1.200 4 6. 7. 2 0.05 2 8. 2 2 0.03 9. B) i 1. 2. 3. d 2.00 3 4. 5. 2 0.20 6. 2 2 0.06 7. 2 8 C) O 1. 2. 3. 7 D) (I) (O) E) C R 0.10 Fcalc Fobs Rietveld (*) F) R 3 4 IUPAC Nomenclature of Inorganic Chemistry O 2-37
H - OH - [-ide] H - hydride D - deuteride F - fluoride Cl - chloride Br - bromide I - iodide O 2- oxide S 2- sulfide Se 2- selenide Te 2- telluride N 3- nitride P 3- phosphide As 3- arsenide C 4- carbide Si 4- silicide B 3- boride [-ide] OH - hydroxide N 3- azide NH 2- imide NH - 2 amide N 2 H - 3 hydraizde CN - cyanide C 2-2 acetylide CN 2-2 cyanamide O - 3 ozonide [-ate] BCNO F Si P SClAs SeBr Te IAt [-ite] NO - 2 N 2 O 2-2 nitrite PO 3 3- P 2 O 4-5 SO 2-3 S 2 O 2-5 S 2 O 2-4 phosphite S 2 O 2-2 sulfite As 2 O - 3 arsenite SeO 2-3 selenite ClO - 2 chlorite ClO - hypo per meta pyro SiF 6 2-(Silicone Fluoride) SCN(thiocyanate)CNO(cyanate)CN(cyanogen) CS 3 (thiocarbonate) [-yl] 38
HO hydroxyl CO carbonyl NO nitrosyl NO 2 nitryl PO phosphoryl VO vanadyl SO sulfinyl SO 2 sulfonyl S 2 O 5 sulfureyl SeO seleninyl SeO 2 selenonyl CrO 2 chromyl UO 2 uranyl NpO 2 neptunyl PuO 2 pultonyl actinide ClO chlorosyl ClO 2 chloryl 2 1 [-ate] [hydrogen**-ate] (H 3 O + ) O 2- H - H - OH - Hydrate 39
5 [International Mineralogical Association(IMA)] [NR] IMA (not recognized) [Rad] X [] [Filter] [d-sp] Guin. D.S. Mono. Diff. S.S.Det. [Cut off] [Int.] [I/I cor] [Ref.] 6 10 7 [Sys.] Cubic= Hexagonal= Monoclinic= Orthorhombic= Tetragonal= Triclinic= Trigonal= [S.G.] () [International Tables for X-ray Crystallography] [a b c] [A=a/bC=c/b c/a [ ] [Z] [mp] [Ref.] 7 [Dx] NBS*AIDS83 [Dm] [SS/FOM] Smith-Snyder 8 [ 40
[Sign] [2V] [Ref.] 2 8 9 5 10 NBS*AIDS83 9 [b] [n] [x] [c] [+] PDF2plus for WindowsBook Form Style 13 10d Int 6Wavelength 2Theta 2 PDF2plus for WindowsRelease 2005 11 ICDD Author s Parameters Bravais Bravais 12 CAS 9 Misc 41
Windows Xp File not found Windows Xp Local Setting Windows 2000 (Users) WinPDF2.mdb Administrator User Guest PDF2plus for Windows Windows 2000 Power User User Power User Administrator 1.WinPDF2.MDB UserPDF.MDB User OK 2. PDF2plus Users OK PDF2plus for Windows Windows Xp WinPDF2.mdb Windows Xp Windows 2000 (Administrator) (User)2 Windows 2000 User Guest PDF2plus for Windows 42
1. 2.PDF2plus for Windows PDF2plus 3. PDF2plus 4. WinPDF2.MDB UserPDF.MDB User OK 5. PDF2plus Users OK 6. PDF2plus for Windows Release 2007(Set 57+)PDF2, PDF Number PDF Number : 00-057-1000 43
57 1000 Set 57+(Release 2007) (WINPDF2.MDB)Set 57+(Release 2007) PDF2plus for Windows FILE READ ERROR(SPLASH) LICENSE.TXT PDF2plus DDM Corporation PDF2plus for Windows CD WinPDF2.MDB PDF2plus for Windows WinPDF2.MDB WinPDF2.MDB 44