Poster Presentation Crystal36-AXAA Conference 2026

Instrumental broadening for large unit cell materials in X-ray diffraction (145248)

Aaron J Seeber 1
  1. CSIRO, Clayton, VICTORIA, Australia

While lanthanum hexaboride is an excellent instrumental broadening standard in most cases, the lowest angle diffraction peak corresponds with a d-spacing of ~4.158Å whereas many samples will exhibit peaks at lower angles.  Instrumental broadening functions obtained from LaB₆ can therefore result in poor fits to diffraction data at low angles.  In this work, it is shown that by using a suitable large d-spacing standard to constrain the instrumental broadening function during profile refinement, fit quality can be substantially improved for large unit cell materials.