Crystal Structure of the High-Pressure Phase of Hexahydro-1,3,5-trinitro-1,3,5-triazine (-RDX)
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- 作者：Naoyuki Goto ; Hiroshi Fujihisa ; Hiroshi Yamawaki ; Kunihiko Wakabayashi ; Yoshio Nakayama ; Masatake Yoshida ; Mitsuo Koshi
- 刊名：Journal of Physical Chemistry B
- 出版年：2006
- 出版时间：November 30, 2006
- 年：2006
- 卷：110
- 期：47
- 页码：23655 - 23659
- 全文大小：343K
- 年卷期：v.110,no.47(November 30, 2006)
- ISSN：1520-5207
文摘
The crystal structure of the high-pressure phase of hexahydro-1,3,5-trinitro-1,3,5-triazine (
-RDX), which isstable above 4 GPa at room temperature, was investigated by using infrared spectroscopy and powder X-raydiffraction measurements followed by Rietveld refinements using a diamond anvil cell (DAC). Although and 
phases were found to belong to the same space group Pbca, they exhibited a different crystal packing.The molecular structure of the phase exhibited the same conformation as that of the phase; however, thetorsion angles of N-NO2 changed marginally.
-RDX), which isstable above 4 GPa at room temperature, was investigated by using infrared spectroscopy and powder X-raydiffraction measurements followed by Rietveld refinements using a diamond anvil cell (DAC). Although and phases were found to belong to the same space group Pbca, they exhibited a different crystal packing.The molecular structure of the phase exhibited the same conformation as that of the phase; however, thetorsion angles of N-NO2 changed marginally.