Hostname: page-component-cd9895bd7-dk4vv Total loading time: 0 Render date: 2024-12-24T13:37:40.780Z Has data issue: false hasContentIssue false
  • English
  • Français

X-ray powder diffraction patterns of energetic materials

Published online by Cambridge University Press:  10 January 2013

D. B. Sullenger ,
J. S. Cantrell  and
T. A. Beiter
D. B. Sullenger
Affiliation:
EG&G Mound Applied Technologies, Inc,b). P.O. Box 3000, Miamisburg, Ohio 45343-3000
J. S. Cantrell
Affiliation:
EG&G Mound Applied Technologies, Inc,b). P.O. Box 3000, Miamisburg, Ohio 45343-3000
T. A. Beiter
Affiliation:
EG&G Mound Applied Technologies, Inc,b). P.O. Box 3000, Miamisburg, Ohio 45343-3000
Get access Rights & Permissions [Opens in a new window]

Abstract

X-ray powder diffraction patterns for 18 phases of 14 well-known explosives have been developed in our laboratory. Experimental patterns were obtained with an automated diffractometer for those phases for which samples were available. For phases with known crystal structures, patterns were calculated from the lattice and atomic positional parameters for comparison with the experimental patterns. Eleven of the experimental patterns have been included in Powder Diffraction File (PDF) Sets 40 and 42; four have been accepted but not yet issued. A final experimental pattern shall be submitted this year. In two other instances, since samples of sufficient quantity and/or quality were not available, calculated patterns alone are considered here. A review of the development of the crystallographic knowledge of these substances is given here together with a critique of the patterns and other known patterns of these phases.

Keywords

X-ray diffractionpowder diffractionreference patternsenergetic substances
Type
Research Article
Information
Powder Diffraction , Volume 9 , Issue 1 , March 1994 , pp. 2 - 14
Copyright
Copyright © Cambridge University Press 1994

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Appleman, D. E., and Evans, H. T. (1973). Rep. USGS-GD-73-OO3, U.S. Geological Survey, Washington, DC. Mound version, LATTICE, adapted by E. F. Jendrek, Mound.Google Scholar
Bachmann, W. R., Blomquist, A. T., Davy, L. G., Mac Dougal, D. P., and Whitmore, F. C. (1944). “The Impact Sensitivity of HMX and of RDX-HMX Mixtures,” Rep. OSRD-4099, Office of Research & Development, Washington, DC.Google Scholar
Blair, C. C. (1974). “X-Ray Diffraction,” Rep. MHSMP-74-9K, Mason and Hanger-Silas Mason Co., Amarillo, TX.Google Scholar
Blair, C. C., Clink, G. L., and Duncan, A. A. (1970). “A Spectral and Photographic Reference for the Isolated Forms of Hexanitrobenzene (HNAB),” Mason and Hanger-Silas Mason Co., Amarillo, TX.Google Scholar
Blomquist, A. T. (1943). “The Polymorphism of HMX,” Rep. OSRD 1227 (ATI-29970), Office of Scientific Research & Development, Washington, DC.Google Scholar
Blomquist, A. T., and Ryan, J. F. Jr., (1944). “Studies Related to the Stability of PETN,” Rep. NDRC-B-3566, National Defense Research Council, Washington, DC.Google Scholar
Booth, A. D., and Llewelleyn, F. J. (1947). J. Chem. Soc., 837–846.Google Scholar
Cady, H. H. (1961). “Studies on the Polymorphs of HMX,” Rep. LAMS-2652, Los Alamos Scientific Laboratory, Los Alamos, NM.Google Scholar
Cady, H. H. (1963). Microscope 14, 27–32.Google Scholar
Cady, H. H. (1967). Acta Crystallogr. 23, 601–609.Google Scholar
Cady, H. H. (1972). “The PETN-DiPEHN-TriPEON System,” Rep. LA-4486-MS, Los Alamos Scientific Laboratory, Los Alamos, NM.Google Scholar
Cady, H. H., and Larson, A. C. (1965). Acta Crystallogr. 18, 485–496.Google Scholar
Cady, H. H., and Larson, A. C. (1975). Acta Crystallogr. B 31, 1864–1869.Google Scholar
Cady, H. H., Larson, A. C., and Cromer, D. T. (1963). Acta Crystallogr. 16, 617–623.Google Scholar
Choi, C. S. (1969). Acta Crystallogr. A 25, S148.Google Scholar
Choi, C. S., and Abel, J. E. (1972). Acta Crystallogr. B 28, 1903–201.Google Scholar
Choi, C. S., and Boutin, H. P. (1970). Acta Crystallogr. B 26, 1235–1240.CrossRefGoogle Scholar
Choi, C. S., and Prince, E. (1972). Acta Crystallogr. B 28, 2857–2862.Google Scholar
Cobbledick, R. E., and Small, R. W. H. (1974). Acta Crystallogr. B 30, 1918–1922.Google Scholar
Cobbledick, R. E., and Small, R. W. H. (1975). Acta Crystallogr. B 31, 332.Google Scholar
Conant, J. W., Cady, H. H., Ryan, R. R., Yarnell, J. L., and Howsam, J. M. (1979). “The Atom Positions of Pentaerythritol Tetranitrate (PETN, C5H8N4O12) Determined by X-ray and Neutron Diffraction, Rep. LA-7756-MS, Los Alamos Scientific Laboratory, Los Alamos, NM.Google Scholar
Connick, W., and May, F. G. J. (1969). J. Cryst. Growth 5, 65–69.Google Scholar
Eiland, P. F., and Pepinsky, R. (1955). Z. Kristallogr. 106, 273–298.Google Scholar
Elban, W. L., Hoffsommer, J. C., and Armstrong, R. W. (1984). J. Mater Sci. 19, 552–566.Google Scholar
Federoff, B. T., and Sheffield, O. E. (1975). Encyclopedia of Explosive and Related Items (Picatinny Arsenal, Ordinance Corps U. S. Army, Dover, NJ), Vol. 7, p. H 152.Google Scholar
Gérard, P. F., and Hardy, A. (1988). Acta Crystallogr. C 44, 1283–1287.Google Scholar
Gerstacker, A., Möller, W. F., and Reis, D. E. (1927). Z. Kristallogr. 66, 355.Google Scholar
Goehner, R. P. (1980). “Advances in X-ray Analyses,” 23, 305–311; Mound version, SPECPLOT, adapted by E. F. Jendrek, Mound.Google Scholar
Graeber, E. J., and Morosin, B. (1974). Acta Crystallogr. B 30, 310–317.CrossRefGoogle Scholar
Graeber, E. J., and Morosin, B. (1983). Acta Crystallogr. C 39, 567–570.Google Scholar
Gross, K. A. (1970). J. Cryst. Growth 6, 210–212.CrossRefGoogle Scholar
Halfpenny, P. J., Roberts, K. J., and Sherwood, J. N. (1984). J. Mater. Sci. 19, 1629–1637.Google Scholar
Harris, P. M., and Reed, P. T. (1959). Rep. AFOSR-TR-59-165, Ohio State University Research Foundation, Columbus, OH.Google Scholar
Holden, J. R., Dickerson, C., and Bock, C. M. (1972). J. Phys. Chem. 76, 3597–3602.Google Scholar
Hultgren, R. (1936). J. Chem. Phys. 4, 84.Google Scholar
Johnson, J. R. (1942a). “Report on Crystallization Studies of RDX, HMX and Related Compounds,” Rep. OSRD 694, Serial 289, Office of Scientific Research & Development, Washington, DC.Google Scholar
Johnson, J. R. (1942b). “The Sensitivity of RDX, HMX and RDX-HMX Mixtures (OD-12),” Rep. OSRD 797, Serial 317, Office of Scientific Research & Development, Washington, DC.Google Scholar
Knaggs, I. E. (1923). J. Chem. Soc., 71–79.Google Scholar
Knaggs, I. E. (1925). Miner. Mag. 20, 346–352.Google Scholar
LaMonte, J. J., Jackson, M. P., Livingston, J., Silberman, A. J., and Jones, F. D. (1958). “The Preparation and Explosive Properties of Tripentaerythritol Octanitrate,” Tech. Rep. 2490. Picatinny Arsenal, Dover, NJ.Google Scholar
Lowe-Ma, C. K. (1987), Paper D-3, Am. Cryst. Assn. Mtg., Austin, Tx.Google Scholar
Lowe-Ma, C. K. (1991). Powder Diffr. 6, 31–35.Google Scholar
Main, P., Cobbledick, R. E., and Small, R. W. H. (1985). Acta Crystallogr. C 41, 1351–1354.Google Scholar
McCrone, W. C. (1950a). Anal. Chem. 22, 954–955.CrossRefGoogle Scholar
McCrone, W. C. (1950b). Anal. Chem. 22, 1225–1226.Google Scholar
McCrone, W. C. (1967). “Crystallographic Study of Hexanitroazobenzene (HNAB),” Rep. SAND 75-7087, Sandia Laboratories, Albuquerque, NM.Google Scholar
Powder Diffraction File, PDF, (1992). International Centre for Diffraction Data, Swarthmore, Pa.Google Scholar
Rogers, J. T. (1962). “Physical and Chemical Properties of RDX and HMX,” R & D Rep. 20-P-26. Holston Defense Corp., Kingsport, TN.Google Scholar
Seabaugh, P. W., Sullenger, D. B., Kantz, M. R., and Haws, L. D. (1968; declassified 1975). “Crystal Data for Higher Homologs of an Organic Compound (U),” Rep. MLM-1432. Monsanto Research Corp., Miamisburg, OH.Google Scholar
Sergio, S. T. (1978). “Studies of the polymorphs of RDX,” U. S. NTISAD Rep. AD-1053155. Department of Chemistry, University of Delaware, Newark, DE.Google Scholar
Smith, D. K., Nichols, M. C., and Zolinsky, M. E. (1983). “POWD, A FORTRAN IV Program for Calculating X-Ray Powder Diffraction Patterns-Version 10,” Pennsylvania State University, University Park, PA. Mound version, POWD, adapted by E. F. Jendrek, Mound.Google Scholar
Smith, G. S., and Snyder, R. L. (1979). J. Appl. Cryst. 12, 60–65.Google Scholar
Soldate, A. M., and Noyes, R. M. (1947). Anal. Chem. 19, 442–444.Google Scholar
Pearson, W. B., and Donohue, J. (Eds.) (1963). Structure Reports for 1955 (N. V. Oosthoeck's Uitgevers MIJ, Utrecht, The Netherlands), Vol. 19, pp. 608–610.Google Scholar
Pearson, W. B., and Nordman, C. E. (Eds.) (1965). Structure Reports for 1963 (G. Oosthoeck, Scheltema & Holkema, Utrecht, The Netherlands), Vol. 28, pp. 467–469.Google Scholar
Pearson, W. B., and Hanson, A. W. (Eds.) (1974a). Structure Reports for 1965, Organic Section (G. Oosthoeck, Scheltema & Holkema, Utrecht, The Netherlands), Vol. 30B, p. 69.Google Scholar
Pearson, W. B., and Trotter, J. (Eds.) (1974b). Structure Reports for 1970, Organic Section (G. Oosthoeck, Scheltema & Holkema, Utrecht, The Netherlands), Vol. 35B, pp. 179–180.Google Scholar
Trotter, J., and Ferguson, G. (Eds.) (1975a). Structure Reports for 1972, Organic Section (G. Oosthoeck, Scheltema & Hoelkema, Utrecht, The Netherlands), Vol. 38B, pp. 130–132.Google Scholar
Trotter, J., and Ferguson, G. (Eds.) (1975b). Structure Reports for 1972, Organic Section (G. Oosthoeck, Scheltema & Holkema, Utrecht, The Netherlands), Vol. 38B pp. 253–254.Google Scholar
Trotter, J., and Ferguson, G. (Eds.) (1976). Structure Reports for 1974, Organic Section (G. Oosthoeck, Scheltema & Holkema, Utrecht, The Netherlands), Vol. B40, pp. 235–236.Google Scholar
Swanson, H. E., McMurdie, H. F., Morris, M. C., Evans, E. H., Paretzkin, B., de Groot, J. H., and Carmel, J. H. (1973). “Standard X-ray Diffraction Powder Patterns,” NBS Monogr. 25-Sec. 11, National Bureau of Standards, Washington, DC., pp. 102 and 100.Google Scholar
Swepston, P. N. (1987). Molecular Structure Corp., College Station, TX. Private communication.Google Scholar
Trotter, J. (1963). Acta Crystallogr. 16, 698–699.Google Scholar