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High-Pressure Data Collection on the XtaLAB Synergy-S with Ag radiation and Using CrysAlis Pro

AppNote SMX026 High Pressure using Ag Radiation

Background

The Rigaku XtaLAB Synergy-S X-ray diffractometer is built around the Universal Goniometer 2 (UG2), a very flexible, efficient and fast full 4-circle kappa goniometer that can accommodate a variety of sample holders in lieu of single crystal loops, including Diamond Anvil Cells designed for high pressure crystallography. Furthermore, the XtaLAB Synergy-S may be configured with one or two microfocus sealed-tube X-ray sources with a choice of Cu, Mo or Ag radiation. The use of Mo or Ag radiation is of particular interest for high-pressure crystallography, as their short wavelength ‘squeezes’ the diffraction pattern and therefore allows more diffraction reflections from crystals to come out through the cell’s aperture and be collected. This allows for more complete data sets per crystal.

Thanks to the aforementioned features, the XtaLAB Synergy-S diffractometer is an excellent instrument for high-pressure crystallography and to demonstrate this, we describe in this report the collection of high-pressure diffraction data from a crystal of sodium uranyl triperoxide using Ag radiation and the subsequent determination of its crystal structure which led to an excellent final R₁ of 3.66% to 0.65 Å .