Reciprocal Space Imaging of Ionic Correlations in Intercalation Compounds

These files contain data sets used in the 3D ΔPDF analysis of Na0.45V2O5, reported in “Reciprocal Space Imaging of Ionic Correlations in Intercalation Compounds” by Krogstad et al. that is being published in Nature Materials. For further information, contact Ray Osborn ([e-mail]).

The files stored here are NeXus files (extension .nxs). These are HDF5 files that conform to the NeXus format (http://www.nexusformat.org). These may be opened in any generic HDF5 viewer, but it is easiest to use NeXpy (http://nexpy.github.io/nexpy/), an open-source application, which enables the plotting of arbitrary slices of multidimensional data. Once each file has been opened, using a standard Open File dialog, it appears in a tree view, using which each data set can be selected and plotted using a double-click. The plotting axes can be switched and limits set using the tabs below the plotting window.

The files in the top-level directory contain external links to the S(Q), ΔPDF, and, in some cases, total PDF results at each temperature.

For example, the 30K data is stored in 'na04v2o5_30K.nxs'. Within the file there are three data groups and a group containing sample information.

Path: /entry/data - 3D S(Q)
Path: /entry/dpdf - 3D ΔPDF
Path: /entry/tpdf - 3D Total PDF (at 30K, 150K, and 275K only)
Path: /entry/sample - crystallographic information (lattice parameters, angles, symmetry)

The data groups contain external links to files stored in a subdirectory, e.g., na04v2o5_30K.nxs references files in the 30K/ subdirectory. Therefore, to view data at a particular temperature, please download the subdirectory as well. The files will still open in NeXpy without the linked files, but the data cannot be plotted.