Databases

Databases for X-ray Absorption and XAFS measurements

For X-ray properties of the elements, including absorption cross-sections, tools for calculating absorption lengths, mirror reflectivities, monochromator Darwin widths and more, see

X-ray Data for the Elements

Other databases of X-ray absorption and scattering properties of the elements are at

• X-ray Absorption Cross-Section and Absorption Coefficient Calculations Periodic Table of x-ray absorption values (aka The McMaster Tables).

• X-ray Interaction with Matter at LBL Center for X-ray Optics

• Henke Atomic Scattering Factors emphasizing lower energies.

• X-ray Mass Attenuation Coefficients at NIST

• XOP X-ray Oriented Programs

• X-ray Data Booklet (The Orange Book) You need this book.

• Various periodic tables of X-ray energies

  • https://xdb.lbl.gov/Section1/Periodic_Table/X-ray_Elements.html

  • http://csrri.iit.edu/periodic-table.html

  • http://skuld.bmsc.washington.edu/scatter/AS_periodic.html

Periodic Table of X-ray Absorption and Emission Energies

Poster-sized Periodic Table of X-ray Absorption Edge energies and X-ray emission line energies are available at https://xrayabsorption.org/xraytable. These display the energies of the hard X-ray absorption edges (K, L1, L2, L3, M5) and the main K, L, and M emission lines, as well as the electronic configuration and most common oxidation states for each element.

The table is generated using X-ray data from W. T. Elam, B. D. Ravel and J. R. Sieber, Radiation Physics and Chemistry 63 (2), pp. 121–128 (2002) (DOI:10.1016/S0969-806X(01)00227-4). The code used to generate this Poster is freely available as part of the XrayDB python module and database.

Crystallography

• Crystallography Open Database : CIF files of inorganic and small organic crystals in the public domain

Reference data

• XAFS Data Library, based on code at XASDataLibrary : A framework for a simple flask and SQLite based data library.

• NIMS Material Data Repository contains a very large collection of XAFS spectra.

• SSHADE FAME (ESRF BM30) XAFS Database

• Canadian Light Source X-ray Absorption Spectroscopy Database

• The Farrel Lytle Database at IIT. Note: This is a “database” in the loosest possible sense of the term.

  Todo

  Converting Lytle data to a usable form is a non-trivial problem. Perhaps point to some examples of how to do so.

Multiple Electron Excitations

• MPE Overview from Iztok Arčon, University of Nova Gorica, Jozef Stefan Institute, Slovenia