X-ray imaging is the predominant modality used in luggage inspection systems for explosives detection. Conventional or dual energy X-ray computed tomography imaging reconstructs the X-ray absorption characteristics of luggage contents at the different energies; however, material characterization based on absorption characteristics at these energies is often ambiguous. X-ray diffraction imaging (XDI) measures coherently scattered X-rays to construct diffraction profiles of materials that can provide additional molecular signature information to improve the identification of specific materials. In this paper, we present recent work on developing XDI algorithms for different architectures, which include limited angle tomography and the use of coded aperture masks. We study the potential benefits of fusion of dual energy CT information with X-ray diffraction imaging. We illustrate the performance of different approaches using Monte Carlo propagation simulations through 3-D media.