8.8 SOURCES OF PROGRAMS Most of the programs listed in this paper are avail able from the author(s) or as part of one of the analytical packages of programs. Where the author list has a date attached, the entry will be found in the section on REFER ENCES. If a date is not given, check for one of the authors in this section. I have tried to indicate the level of charges that might be requested for a copy of the specific program by the (*) and (**) marks. The single mark (*) indicates a nominal charge and the double mark (**) indicates a commercial program. Charges may be only the supply of the medium for the copy and sometimes there is a small copying charge. PC programs seem to be more commonly commercialized then main-frame programs, however, there are many PC freeware programs available. Even when requesting freeware, a requestor should supply the medium and ask if a small remittance would be appropriate. ALEPH Aleph Enterprises, Inc. P. O. Box 213 Livermore, CA 94550 USA Benoit Paul Benoit Department of Geology 31 Williams Hall Lehigh University Bethlehem, PA 18015 Beppu Yoshitaka Beppu Laboratory of Theoretical Biophysics Department of Physics Nogoya University Nogoya 464, Japan Bideaux Richard A. Bideaux 710 W. Bangalor Drive Oro Valley, AZ 85704 Bish David L. Bish ESS-1, Geology/Geochemistry MS D469 Los Alamos National Laboratory Los Alamos, NM 87545 Blanchard Frank N. Blanchard Department of Geology University of Florida Gainesville, FL 32611 Burnham Charles W. Burnham Hoffman Laboratory Harvard University 20 Oxford Street Cambridge, MA 02138 Busing William R. Busing Chemistry Division Oak Ridge National Laboratory P. O. Box 2008 Oak Ridge, TN 37831 Canfield Dennis V. Canfield Univ. of Southern Mississippi Department of Polymer Science Hattiesburg, MS 39406-0076 Clayton William Rex Clayton Miller Brewing Company 3939 West Highland Blvd. Milwaukee, WI 53208 Clearfield Abraham Clearfield Department of Chemistry Texas A&M University College Station, TX 77843 Cohen Jerome B. Cohen Technical Institute Northwestern University Evanston, IL 60201 Cooper M. J. Cooper Materials Physics Section AERE Harwell, Oxfordshire, OX11 0RA, UK Davies Chemical Designs, Ltd. Unit 12 7 West Way Oxford OX2 0JB England Davis Briant L. Davis Institute for Atmospheric Research South Dakota School of Mines Rapid City, SD 57701-3995 Dowty Eric Dowty 196 Beechwood Avenue Bogota, NJ 07603 Eysel Walter Eysel Mineralogische und Petrographisches Institut Universitat Heidelburg Im Neuerheimer Feld 236 D-6900 Heidelburg, FRG Fischer Reinhard X Fischer Mineralogishes Institut Universitat Wurzburg D-8700 Wurzburg, FRG Forrest Allister M. Forrest Department of Physics Paisley College of Technology High Street, Paisley Renfrewshire, PA1 2BE, UK Foris C. M. Foris Central Research and Development E. I. DuPont de Nemours & Co. Experimental Station, Bldg. 356 Wilmington, DE 19898 Frevel Ludo K. Frevel 1205 West Park Drive Midland, MI 48640 Gabe Eric J. Gabe Chemistry Division National Research Council Ottawa, Ontario, K1J 8L9 Canada Garbauskas Mary F. Garbauskas General Electric Company Corporate Research and Development P. O. Box 8, K-1 2C35 Schenectady, NY 12301 Garvey Roy G. Garvey Department of Chemistry North Dakota State University Fargo, ND 58105-5516 Goehner Raymond A. Goehner Siemens Analytical X-ray Instruments 6300 Enterprise Lane Madison, WI 53719-1173 Harlow Richard L. Harlow Central Research and Development E. I. DuPont de Nemours & Co. E228/316 D Wilmington, DE 19898 Hill Roderick J. Hill Division of Mineral Chemistry C. S. I. R. O. P. O. Box 124 Port Melbourne, Victoria 3207, Australia Holomany Mark A. Holomany JCPDS-ICDD 1601 Park Lane Road Swarthmore, PA 19081 Hovestreydt Eric R. Hovestreydt Institut fur Kristallographie Universitat Karlsruhe D-7500 Karlsruhe, FRG Howard Scott A. Howard Department of Ceramic Engineering University of Missouri - Rolla Rolla, MO 65401 Hubbard Camden R. Hubbard Oak Ridge National Laboratory P. O. Box 2008 Oak Ridge, TN 37831 INEL INEL J. P. Duchemin Avenue de Scandinavie Z. A. de Courtaboeuf 91953 Les Ulis Cedex, France Izumi F. Izumi National Institute for Research in Inorganic Materials Namiki 1-1, Tsukuba-Shi, 305, Japan Jenkins Ron Jenkins JCPDS-ICDD 1601 Park Lane Road Swarthmore, PA 19081 CJohnson Carroll K. Johnson Oak Ridge National Laboratory P. O. Box 2008 Oak Ridge, TN 37831 GJohnson Gerald G. Johnson, Jr. 164 Materials Research Laboratory The Pennslyvania State University University Park, PA 16802 QJohnson Quintin C. Johnson Materials Data, Inc. P. O. Box 791 Livermore, CA 94550 Jones Rolland C. Jones Department of Agronomy University of Hawaii 1910 East West Road Honolulu, HI 96822 Kawahara A. Kawahara Faculty of Science Okayama University 3-1-1, Tsoshimanaka Okayama 700, Japan Keller Egbert Keller Kristallographisches Institut der Universitat Hebelstrasse, 25 D-7800 Frieburg, FRG Larson Allen C. Larson LANSCE Los Alamos National Laboratory Los Alamos, NM 87545 Lawton Stephen L. Lawton Mobil Research Center Paulsboro, NJ 08096 Louer Daniel Louer Laboratorie de Cristallochimie Universite de Rennes Avenue du General Leclerc 35042 Rennes-Cedex, France Marquart Fein-Marquart Associates, Inc. 7215 York Road Baltimore, MD 21212 MDI Materials Data Inc. P. O. Box 791 Livermore, CA 19550 USA McCarthy Gregory J. McCarthy Department of Chemistry North Dakota State University Fargo, ND 58105-5516 Mighell Alan D. Mighell National Institute of Standards and Technology A209, MATLS Gaithersburg, MD 20899 Millidge H. Judith Millidge Crystallography Unit University College, London Gower Street London, WC1E 6BT, UK Mueller Melvin H. Mueller IPNS Building 360 Argonne National Laboratory 9700 Cass Avenue Argonne, IL 60439 Morton Roger D. Morton Department of Geology University of Alberta Edmonton T6G 2H7, Canada Motherwell William D. S. Motherwell Automation Office Cambridge University Library West Road Cambridge CB3 9DR, UK Muller Norbert Muller Michael Hainischstrasse 2/12 A-4040 Linz, Austria Nichols Monte C. Nichols Aleph Enterprises P. O. Box 213 Livermore, Ca 94550 Nurmela Pekka Suortti Department of Physics University of Helinski Siltavuorenpenger 20 D SF-00170 Helinski 17, Finland O'Connor Brian H. O'Connor WAITEC Consulting Services Kent Street, Bentley Western Australia 6102, Australia Parthe Erwin Parthe Laboratoire de Cristallographie aux Rayons X 24, Quai Ernest-Ansermet CH - 1211 Geneve 4, Switzerland Pawley G. Stuart Pawley Department of Physics University of Edinburgh Mayfield Road Edinburgh EH9 3JZ, Scotland, UK Philips Philips Electronic Instruments 85 McKee Drive Mahwah, NJ 07430 Prewitt Charles T. Prewitt Geophysical Laboratory 2801 Upton Street Washington, DC 20008-3898 Prince Edward Prince Reactor Radiation Division National Institute for Standards and Technology Bldg. 235 - A106 Gaithersburg, MD 20899 RAL Rutherford-Appleton Laboratory Chilton, Didcot Oxon OX11 0QX ,UK Reck Guenter Reck Zentralininstitut fur Physikalische Chemie Akademie der Wissenshaften der DDR Rudower Chausse 5 DDR-1199, Berlin, GDR Reynolds Robert C. Reynolds Department of Earth Sciences Dartmouth College Hanover, NH 03755 Rigaku Rigaku Corporation Segawa Building 2-8 Kandasurugadai Chiyoda-ku, Tokyo, Japan Rose Charles E. Rose Helios Software P. O. Box 44-1215 West Somerville, MA 02144 Rossell Henry J. Rossell Division of Materials Science C. S. I. R. O. Normanby Road Clayton, Victoria 3168, Australia Russ John C. Russ School of Engineering North Carolina State University P. O. Box 5995 Raleigh, NC 27650 Scientific Scientific Software Services 3497 School Road Murraysville, PA 15668 Scott Henry G. Scott C. S. I. R. O. Division of Materials Science Normanby Road Clayton, Victoria 3168, Australia Schneider Julius Schneider Institut fur Kristallographie und Mineralogie Universitat Munchen Theresienstrasse 41 D-8000 Munchen 2 FRG Shchedrin Boris M. Shchedrin Moscow State University Computing Center Leninskiye Gory Moscow 117234, USSR Sheldrick George M. Sheldrick Institut fur Anorganische Chemie Universitat Tammannstrasse 4 D-3400 Goettingen, FRG Smith Deane K. Smith Department of Geosciences 239 Deike Building The Pennsylvania State University University Park, PA 16802 Snyder Robert L. Snyder College of Ceramics Alfred University Alfred, NY 14802-1296 Socabim Socabim Julian Nusinovici 9 Bis Villa du Bel-Air Paris 75012, France Sonneveld Eduard J. Sonneveld Technische Physiche Dienst TNO-TH Stieltjesweg 1 P. O. Box 155 2600 AD Delft, The Netherlands Spek Anthony L. Spek Lab. voor Kristal- en Structuurchemie Universite Utrecht Padualaan 8 P. O. Box 80050 3508 TB Utrecht, The Netherlands Stewart James M. Stewart Department of Chemistry University of Maryland College Park, MD 20742 Suortti Pekka Suortti Department of Physics University of Helinski Siltavuorenpenger 20 D SF-00170 Helinski 17 Finland Takagi Yutaka Takagi Osaka Kyoiku University Minamikawahoricho 43 Tennouji-ku, Osaka 543, Japan Toby Brian H. Toby Department of Materials Science University of Pennsylvania Philadelphia, PA 19104-6272 Toraya Hideo Toraya Ceramic Engineering Research Center Nagoya Institute of Technology Asahigaoka, Tajimi 507, Japan Tripos Tripos Associates, Inc. 1699 South Hanley Road Suite 303 St. Louis, MO 63117 Vila1 A. Vila Instituto de Ciencia de Materiales CSIC Serrano 113 28003 Madrid, Spain Vila2 SciSoft Attn: Mr. Arias c/ Providencia 27 E-08800 Vilanova i La Geltru Barcelona, Spain deVillers Johann P. R. deVillers MINTEK Private Bag X3015 Randsburg South Africa Wassermann A. Wassermann Kaufbeurerstrasse 4 Postfach 2631 D-8960 Kempten, FRG Werner Per-Erik Werner Arrhenius Laboratory University of Stockholm S-106 91 Stockholm, Sweden White P. S. White Chemistry Department University of New Brunswick Fredericton New Brunswick E3B 5A3, Canada Will Georg Will Mineralogisches Institut der Universitat Poppelsdorfer Shloss, D-5300 Bonn, FRG Wims Andrew M. Wims Research Center General Motors Technical Center 30500 Mound Road Warren, MI 48090 Young Ray A. Young School of Physics Georgia Institute of Technology Atlanta, GA 30332 8.9 REFERENCES Abad-Zapetro, C. and O'Donnell, T. J. (1987) TABLES, a program to display space-group symmetry information in three dimensions. J. Appl. Cryst. 20, 532-535. Alexander, L. E. and Klug, H. P. (1948) Basic aspects of X-ray absorption in quantitative diffraction analysis of powder mixtures. Anal. Chem. 20, 886-889. Allen, F. H., Bergerhoff, G. and Sievers, R., Editors (1987) "Crystallographic Databases". International Union of Crystallography, Chester, UK. Appleman, D. E. and Evans, H. T., Jr. (1973) U. S. Geolo gical Survey Computer Contribution 20. U. S. National Technical Information Service Document PB2-16188. Armstrong, E. E. (1989) The use of fourier self-deconvo lution to resolve overlapping X-ray powder diffraction peaks. Powd. Diff. (in press). Azaroff, L. V. and Buerger, M. J. (1958) "The Powder Method in X-ray Crystallography". McGraw-Hill, New York. NY, USA. Baerlocher, Ch., Hepp, A. and Meier, W. M. (1977) DLS-76, A program for the simulation of crystal structures by geometric refinement. Institute of Crystallography and Petrology, ETH, Switzerland. Bandel, G. and Sussman, J. L. (1983) PLORTEP: a computer program to translate PLUTO instructions into those of ORTEP. J. Appl. Cryst. 16, 650-651. Barker, T. V. (1922) "Graphical and Tabular Methods in Crystallography as a Foundation of a New System of Practice." London, UK. Bergerhoff, G. and Brown, I. D. (1987) Inorganic crystal structure database. in "Crystallographic Databases", Allen, Bergerhoff and Siever, Eds., International Union of Crystallography, Chester, England, 77-95. Bish, D. L. and Howard, S. A. (1988) Quantitative phase analysis using the Rietveld method. J. Appl. Cryst. 21, 86-91. Brown, B. E. and Bailey, S. W. (1962) Chlorite polytypism: I. Regular and semi-random one-layer structures. Amer. Mineral. 47, 819-850. Canut-Amoros, M. (1970) STLPLT: Calcomp plot of crystallo graphic projections of Laue photographs. Computer Phys. Comm. 1, 293-305. Carr, M. Chambers, W. F. and Melgaard, D. (1986) A search/match procedure for electron diffraction data based on pattern matching with binary bit maps. Powd. Diff. 1, 226-234. Carr, M., Chambers, W. F., Melgaard, D., Himes, V. L., Stalick, J. and Mighell, A. D. (1989) NIST/Sandia/ICDD Electron Diffraction Database: a database for phase identification by electron diffraction. J. Res. NIST 94, 15-20. Chung, F. H. (1974a) Quantitative interpretation of X-ray patterns of mixtures: I. Matrix-flushing method of quantitative multicomponent analysis. J. Appl. Cryst. 7, 519-525. Chung, F. H. (1974b) Quantitative interpretation of X-ray patterns of mixtures: II. Adiabatic principle of X-ray diffraction analysis of mixtures. J. Appl. Cryst. 7, 526-531. Cohen, M. U. (1936a) Elimination of systematic errors in powder photographs. Z. Krist. 94, 288-298. Cohen, M. U. (1936b) Calculation of precise lattice con stants from X-ray powder photographs. Z. Krist. 94, 306-310. Cooper, M. J., Rouse, K. D. and Sakata, M. (1981) An alter native to the Rietveld profile refinement method. Z. Krist. 157, 101-117. Copeland, L. E. and Bragg, R. H. (1958) Quantitative X-ray diffraction analysis. Anal. Chem. 30, 196-201. Crennell, K. M. and Crisp, G. M. (1984) An enhanced PLUTO78 for molecular display. J. Appl. Cryst. 17, 366-368. Cullity, B. D. (1978) "Elements of X-ray Diffraction". 2nd Ed., Addison-Wesley, Reading, MA, USA. Dana, J. D. (1837) "System of Mineralogy." 1st Ed., New Haven, CN, USA. Davis, B. L. (1986) "Reference Intensity Method of Quanti tative X-ray Diffraction Analysis." South Dakota School of Mines, Rapid City, SD, USA. Dollase, W. A. (1986) Correction of intensities for pre ferred orientation in powder diffractometry: Applica tions of the March model. J. Appl. Cryst. 19, 267-272. Donnay, J. D. H., Nowacki, W. and Donnay, G. (1954) "Crys tal Data". Memoir 60, Geological Society of America, Boulder, CO, USA. Dowty, E. (1988) Shape software for drawing crystals on personal computers. J. Appl. Cryst. 21, 211. Edmonds, J. W. (1980) Generalization of the ZRD-SEARCH- MATCH program for powder diffraction analysis. J. Appl. Cryst. 13, 191-192. Fischer, R. X (1985) STRUPLO84, a Fortran plot program for crystal structure illustrations in polyhedral represen tation. J. Appl. Cryst. 18, 258-262. Fleischer, M. (1987) "Glossary of Mineral Species." Mine ralogical Record, Tuscon, AZ, USA. Frevel, L. K. (1982) Structure-sensitive search-match procedures for powder diffraction analysis. Anal. Chem. 54, 691-697. Frevel, L. K., Adams, C. E. and Ruhberg, L. R. (1976) A fast search/match program for powder diffraction analy sis. J. Appl. Cryst. 9, 199-204. Garvey, R. G. (1986a) UNITCELL finds unit cell parameters from a powder diffraction pattern. Powd. Diff. 1[2], 89. Garvey, R. G. (1986b) LSUCRIPC, Least squares unit-cell refinement with indexing on the personal computer. Powd. Diff. 1[1], 114. Gerward, L. and Olsen, J. S. (1987) EDDA, a program for producing energy-dispersive powder diffraction spectra. J. Appl. Cryst. 20, 324. Goebel, J. B. and Wilson, A. S. (1965) "Indexing Program for Indexing X-ray Diffraction Powder Patterns." Batelle Northwest Laboratories, Report BNWL-22. Goehner, R. P. (1979) SPECPLOT - an interactive data reduction and display program for spectral data. Adv. X-ray Anal. 23, 305-311. Goehner, R. P. and Garbauskas, M. F. (1983a) Computer-aided qualitative X-ray powder diffraction phase analysis. Adv. X-ray Anal. 26, 81-86. Goehner, R. P. and Garbauskas, M. F. (1983b) "PDIDENT - A Set of Complete Programs for Powder Diffraction Phase Identification." General Electric Technical Information Series 83CRD062, Schenectady, NY, USA Hanawalt, J. D., Rinn, H. W. and Frevel, L. K. (1938) Chem ical analysis by X-ray diffraction - Classification and use of X-ray diffraction patterns. Ind. Eng. Chem. Anal. Ed. 10, 457-512. Himes, V. L. and Mighell, A. D. (1985) "NBS*LATTICE: A Pro gram to Analyze Lattice Relationships." NIST Crystal Data Center, Gaithersburg, MD, USA. Himes, V. L. and Mighell, A. D. (1987) NSB Crystal Data: NBS*SEARCH: a program to search the database. in "Crystallographic Databases", Allen, Bergerhoff and Siever, Eds. International Union of Crystallography, Chester England, 144-155. Howard, S. A. and Snyder, R. L. (1983) Evaluation of some profile models used in profile fitting. Adv. X-ray Anal. 26, 73-80. Hovestreydt, E. (1983) FINAX: A computer program for cor recting diffraction angles, refining cell parameters and calculating powder patterns. J. Appl. Cryst. 16, 651-653. Hovestreydt, E. and Parthe, E. (1988) ENDIX: a program to simulate energy dispersive X-ray powder diffraction diagrams. J. Appl. Cryst. 21, 282-283. Hubbard, C. R. 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(1986) Applications of total pattern fitting to a study of crystallite size and strain in zinc oxide powders. Powd. Diff. 1, 211-221. Larson, A. C. and Von Dreele, R. B. (1987) "GSAS, General ized Crystal Structure Analysis System." LAUR-86-748, Los Alamos National Laboratory, Los Alamos, NM, USA. Laugier, J. and Folhol, A. (1983) An interactive program for the interpretation and simulation of Laue patterns. J. Appl. Cryst. 16, 281-283. Lin, T. H., Zhang, S. Z., Chen, L. J. and Cai, X. X. (1983) An improved program for searching and matching of X-ray powder diffraction patterns. J. Appl. Cryst. 16, 150-154. Louer, D. and Louer, M. (1972) Methode d'essois et erruers pour l'indexation automatique des diagrammes poudre. J. Appl. Cryst. 5, 271-275. Louer, D. and Vargas, R. (1982) Indexation automatique des diagrammes de poudre per dichotomies successives. J. Appl. Cryst. 15, 542-545. Luo, J., Ammon, H. L. and Gilliland, G. L. 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(1989) A practical inter active least-squares cell-parameter program using an electronic spreadsheet and a personal computer. Amer. Mineral. 74, 488-490. Paszkowicz, W. (1989) INDEXING, a program for indexing pow der patterns of cubic, tetragonal, hexagonal and ortho rhombic substances. J. Appl. Cryst. 22, 186-187. Pawley, G. S. (1980) EDINP, the Edinburgh powder refinement program. J. Appl. Cryst. 13, 630-633. Pawley, G. S. (1981) Unit-cell refinements from powder diffraction scans. J. Appl. Cryst. 14, 357-361. Pyrros, N. P. and Hubbard, C. R. (1983) POWDER PATTERN: A system of programs for processing and interpreting powder diffraction data. Adv. X-ray Anal. 26, 63-72. Rachinger, W. A. (1948) A correction of the doublet in the measurement of the widths of X-ray diffraction lines. J. Sci. Instr. 25, 254-255. Radhakrishnan, R. (1982) A molecular plotting program. J. Appl. Cryst. 15, 135-136. Rietveld, H. M. 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