Crystal structures

A personal view is offered on various solved and open problems related to crystal structures: the present state of reconstructing the crystal electron density from X‐ray diffraction data; characterization of atomic and molecular motion from a combination of atomic displacement parameters and quantum...

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Bibliographic Details
Published in:Acta crystallographica Section B, Structural science, crystal engineering and materials Structural science, crystal engineering and materials, 2022-06, Vol.78 (3-1), p.283-289
Main Author: Bürgi, Hans-Beat
Format: Article
Language:English
Subjects:
Chain dynamics
crystal electron density
Crystal structure
Crystallography
Crystallography, X-Ray
Diffraction
diffuse scattering
Diffusion
Electron density
Molecular motion
Motion
motion in crystals
Quantum chemistry
Scattering
X-Ray Diffraction
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Summary:A personal view is offered on various solved and open problems related to crystal structures: the present state of reconstructing the crystal electron density from X‐ray diffraction data; characterization of atomic and molecular motion from a combination of atomic displacement parameters and quantum chemical calculations; Bragg diffraction and diffuse scattering: twins, but different; models of real (as opposed to ideal) crystal structures from diffuse scattering; exploiting unexplored neighbourhoods of crystallography to mathematics, physics and chemistry. A personal view on crystal structures is offered: past and present, ordered and disordered, static and dynamic, and problems solved and open.
ISSN:2052-5206
2052-5192
2052-5206
DOI:10.1107/S205252062200292X