Abstract
Anomalous diffraction of Bijvoet pairs (BPs) is a fundamental method of structure analyses in crystallography. We demonstrate that the diffraction intensity ratio of a BP always intrinsically equals the two structure factors' squared modulus ratio instead of the modulus ratio that has been believed to govern dynamical diffraction. High-resolution experiments of perfect quartz precisely proved this principle in pure dynamical diffraction. The underlying mechanism is that the elementary diffraction functions of BPs always obey the squared modulus ratio rule, which is universally valid for both kinematical and dynamical diffraction in any diffraction geometry. This fundamental mechanism clarifies one of the long-lasting ambiguities in x-ray crystallography and paves the way for various applications of high-resolution diffraction of BPs, particularly for large high-quality crystals.
Highlights
The intensity of x-ray diffraction from crystals depends on the structure factor modulus, |F (H)|, where H is the Bragg reflection vector
We demonstrate that the diffraction intensity ratio of a Bijvoet pairs (BPs) always intrinsically equals the two structure factors’ squared modulus ratio instead of the modulus ratio that has been believed to govern dynamical diffraction
The underlying mechanism is that the elementary diffraction functions of BPs always obey the squared modulus ratio rule, which is universally valid for both kinematical and dynamical diffraction in any diffraction geometry
Summary
Bijvoet pair’s intensity ratio: Convergence of kinematic and dynamical diffraction The intensity of x-ray diffraction from crystals depends on the structure factor modulus, |F (H)|, where H is the Bragg reflection vector.
Sign-in/Register to view highlights & summary 
Published Version (
Free)
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call