Some observations on the structure of TATB

Phillips, D. S.; Schwarz, R. B.; Skidmore, C. B.; Hiskey, M. A.; Son, S. F.
April 2000
AIP Conference Proceedings;2000, Vol. 505 Issue 1, p707
Academic Journal
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-l); SHG is not expected from materials of this symmetry. A wide variety of syntheses have been shown to produce SHG efficient materials, including an emulsion technique, two recrystallization methods, and a combined reaction - precipitation process. 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 efficient 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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