IUCr journals

J. Appl. Cryst. (2009). 42, 15-21 (doi.org/10.1107/S0021889808034730)

Structural changes in nanocrystalline mackinawite (FeS) at high pressure

L. Ehm, F.M. Michel, S.M. Antao, C.D. Martin, P.L. Lee, S.D. Shastri, P.J. Chupas and J.B. Parise

The determination of the atomic arrangement in nanostructured materials is challenging. However, the atomic structure of nanocrystalline materials can be obtained using the atomic pair distribution function technique, which is derived from the Fourier transform of the total elastic X-ray scattering. The present article shows the successful structure refinement of nanocrystalline mackinawite at elevated pressure. A phase transition was observed and the structure of the high-pressure phase has been determined using a combination of model building and real-space structure refinement.