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Dissociation of ⟨111⟩ dislocations on {11¯0} in pentaerythritol tetranitrate
Published in Philosophical Magazine, 2019
M. J. Cawkwell, N. Mohan, D. J. Luscher, K. J. Ramos
Pentaerythritol tetranitrate (PETN), CHNO, is a widely used but relatively sensitive secondary explosive. Its stable polymorph at room temperature and pressure, PETN-I, is depicted in Figure 1 and is primitive tetragonal with two molecules per unit cell in space group [1]. The unit cell of PETN-I is simple by the standards of most molecular crystals. However, it is important to note that the vector connecting the molecule at the origin to the molecule at the body centre is not a lattice translation vector because the two molecules in the unit cell are rotated with respect to each other.