The Crystallography Open Database (COD), which is a project that aims to gather all available inorganic, metal-organic and small organic molecule structural data in one database, is described. The database adopts an openaccess model. The COD currently contains 80 000 entries in crystallographic information file format, with nearly full coverage of the International Union of Crystallography publications, and is growing in size and quality.

Using an open-access distribution model, the Crystallography Open Database (COD, http://www.crystallography.net) collects all known ‘small molecule / small to medium sized unit cell’ crystal structures and makes them available freely on the Internet. As of today, the COD has aggregated ∼150 000 structures, offering basic search capabilities and the possibility to download the whole database, or parts thereof using a variety of standard open communication protocols. A newly developed website provides capabilities for all registered users to deposit published and so far unpublished structures as personal communications or pre-publication depositions. Such a setup enables extension of the COD database by many users simultaneously. This increases the possibilities for growth of the COD database, and is the first step towards establishing a world wide Internet-based collaborative platform dedicated to the collection and curation of structural knowledge.

International audienceAn automated technique for the mapping of nanocrystal phases and orientations in a transmission electron microscope is described. It is primarily based on the projected reciprocal lattice geometry that is extracted from electron diffraction spot patterns. Precession electron diffraction patterns are especially useful for this purpose. The required hardware allows for a scanning-precession movement of the primary electron beam on the crystalline sample and can be interfaced to any older or newer mid-voltage transmission electron microscope (TEM). Experimentally obtained crystal phase and orientation maps are shown for a variety of samples. Comprehensive commercial and open-access crystallographic databases may be used in support of the nanocrystal phase identification process and are briefly mentioned

International audienceA semi-automatic technique for the mapping of nanocrystal phases and orientations in a transmission electron microscope (TEM) is described. It is based primarily on the projected reciprocal lattice geometry, but also utilizes the intensity of reflections that are extracted from precession-enhanced electron diffraction spot patterns of polycrystalline materials and multi-material composites. At the core of the method, experimental (precession-enhanced) electron diffraction spot patterns are cross correlated with pre-calculated templates for a set of model structures. The required hardware facilitates a scanning-precession movement of the primary electron beam on the polycrystalline and/or multi-material sample and can be interfaced to any newer or older mid-voltage TEM. The software that goes with this hardware is so flexible in its intake of experimental data that it can also create crystallite orientation and phase maps of nanocrystals from the amplitude part of Fourier transforms of high resolution TEM images. Experimentally obtained crystallite orientation and phase maps are shown for a clausthalite nanocrystal powder sample, polycrystalline aluminum and copper films, fine-grained palladium films, as well as MnAs crystallites that are partly embedded in a GaAs wafer. Comprehensive open-access and commercial crystallographic databases that may provide reference data in support of the nanocrystal phase identification process of the software are briefly mentioned. (C) 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinhei