Some Observations on the Structure of TATB

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The recent discovery of second-harmonic light generation (SHG) from 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has renewed interest in both the crystallography and the identification of defect structures in this material. The accepted crystal structure is triclinic but centrosymmetric (P-1); SHG is not expected from materials of this symmetry. A wide variety of syntheses have been shown to produce SHG-positive materials, including an emulsion technique, two different recrystallization methods, and a variety of combined reaction - precipitation processes. In addition, two standard commercial powders have shown the property after annealing in the 300 C range. We have examined the structures of several of these ... continued below

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D.S., Phillips; Schwarz, R.B.; Skidmore, C.B.; Hiskey, M.A. & Son, S.F. June 28, 1999.

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The recent discovery of second-harmonic light generation (SHG) from 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has renewed interest in both the crystallography and the identification of defect structures in this material. The accepted crystal structure is triclinic but centrosymmetric (P-1); SHG is not expected from materials of this symmetry. A wide variety of syntheses have been shown to produce SHG-positive materials, including an emulsion technique, two different recrystallization methods, and a variety of combined reaction - precipitation processes. In addition, two standard commercial powders have shown the property after annealing in the 300 C range. We have examined the structures of several of these powders using polarized light microscopy (PLM), scanning electron microscopy (SEM), and powder X-ray diffraction (XRD). We find that SHG-positive materials typically contain crystals both more transparent and more strongly faceted (i.e. ''more perfect'') than weak-SHG ones and that the positive samples show stronger texture in their powder diffraction patterns. These results are compared with predictions from Cady's structure.

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Medium: P; Size: vp.

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OSTI as DE00761024

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  • AIP meeting on Shock Compression of Condensed Matter, Snowbird, UT (US), 06/28/1999--06/30/1999

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  • Report No.: LA-UR-99-3397
  • Grant Number: W-7405-ENG-36
  • Office of Scientific & Technical Information Report Number: 761024
  • Archival Resource Key: ark:/67531/metadc716578

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  • June 28, 1999

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  • Sept. 29, 2015, 5:31 a.m.

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  • May 6, 2016, 2:02 p.m.

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D.S., Phillips; Schwarz, R.B.; Skidmore, C.B.; Hiskey, M.A. & Son, S.F. Some Observations on the Structure of TATB, article, June 28, 1999; New Mexico. (digital.library.unt.edu/ark:/67531/metadc716578/: accessed September 23, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.