3D electron diffraction goes multipolar

Abstract

Over 30 years ago, it was shown that bonding between atoms has a noticeable effect on convergent beam electron diffraction patterns. The paper by Olech et al. [(2024). IUCrJ, 11, 309–324] demonstrates that its influence is also clearly present in 3D electron diffraction data, opening up new possibilities for quantum crystallography.

Keywords

• electron crystallography
• 3d electron diffraction
• microcrystal electron diffraction
• dynamical refinement
• transferable aspherical atom model
• multipolar scattering factors
• quantum crystallography