International Tables for Crystallography
| The X-ray extended-range technique for higher accuracy measurements and higher significance of X-ray absorption spectroscopy results International Tables for Crystallography (2024). Vol. I [ doi:10.1107/S1574870723009485 ] Abstract The X-ray extended-range technique (XERT) is an advanced high-accuracy technique for X-ray attenuation, X-ray absorption spectroscopy (XAS), X-ray absorption fine structure, X-ray absorption near-edge structure and fluorescence XAS which has been developed and applied at several beamlines around the world. The statistical precision and accuracy of data obtained using XERT, compared with standard experiments using the same beamline and flux, are normally improved by a factor of 10–100. Of course, it takes a longer period of data collection in order to return greater physical and chemical insight. XERT has successfully been applied across the energy range from 5 to 60 keV. It has been applied to elemental materials from silicon (Z = 6) to tin and gold (Z = 79) and it has been applied to K edges and L edges. It has successfully been applied to monoelemental metal foils, solid compounds, crystals and concentrated (15 mM) and dilute (1.5 mM) solutions, and to systems with from 100%(w/w) to 0.07%(w/w) of the active species in the molecule of interest. XERT has measured attenuation and absorption coefficients from 4 to 340 g cm−2 with samples of thicknesses from 1 µm to 4 mm and natural logarithm ratios 0.01 < ln(I0/I) < 9. XERT has been applied to transmission measurements and fluorescence measurements, and to active-species attenuations as low as ln(I0/I) = 0.001 for solutions. The principles, techniques and technology of XERT should directly carry across to soft X-ray, in vacuo and vacuum ultraviolet energies. Whereas standard XAS may attain a precision or accuracy as low as ∼1–10%, XERT has regularly reached a precision and accuracy of 0.1% or 0.02%, depending upon the material, beamline and energy regime. Simpler approaches have many valid purposes, but the higher accuracy of XERT permits several novel opportunities: (i) investigations of nanostructure and local structure, and not just `fingerprinting', (ii) determination of nanostructure against multiple hypotheses, and not just `confirmation of structure from some other technique', and (iii) ab initio structural determination that is equal to, or in some cases better than, that from X-ray diffraction for local structure (Glover & Chantler, 2007). This accuracy permits the observation of dynamic structure, and the evolution thereof, compared with the anisotropic thermal parameters and ellipsoids obtained from X-ray or neutron diffraction. For many fundamental questions, it is a key tool for future research. |
Access, prices and ordering
International Tables for Crystallography is available online as a full set of volumes through Wiley.
![]() |
If you have already registered and are using a computer listed in your registration details, please email [email protected] for assistance.
About International Tables for Crystallography
International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.
