title: Crystal structure of the high-pressure phase of hexahydro-1,3,5-trinitro-1,3,5-triazine (gamma-RDX).
abstract: The crystal structure of the high-pressure phase of hexahydro-1,3,5-trinitro-1,3,5-triazine (gamma-RDX), which is stable above 4 GPa at room temperature, was investigated by using infrared spectroscopy and powder X-ray diffraction measurements followed by Rietveld refinements using a diamond anvil cell (DAC). Although gamma and alpha phases were found to belong to the same space group Pbca, they exhibited a different crystal packing. The molecular structure of the gamma phase exhibited the same conformation as that of the alpha phase; however, the torsion angles of N-NO2 changed marginally.
authors.affiliation: Department of Chemical System Engineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Tokyo 113-8656, Japan.
authors.forename: Naoyuki
authors.initials: N
authors.lastname: Goto
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Fujihisa
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Yamawaki
authors.forename: Kunihiko
authors.initials: K
authors.lastname: Wakabayashi
authors.forename: Yoshio
authors.initials: Y
authors.lastname: Nakayama
authors.forename: Masatake
authors.initials: M
authors.lastname: Yoshida
authors.forename: Mitsuo
authors.initials: M
authors.lastname: Koshi