Department of Chemistry, Biochemistry and Pharmacy, University of Berne, Freiestrasse 12, Bern, CH-3012, Switzerland.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2022 Jun 1;78(Pt 3 Pt 1):283-289. doi: 10.1107/S205252062200292X. Epub 2022 May 11.
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.
目前从 X 射线衍射数据中重建晶体电子密度的状态；通过原子位移参数和量子化学计算的结合来描述原子和分子的运动；布拉格衍射和漫散射：双胞胎，却不同；从漫散射中得到真实（相对于理想）晶体结构的模型；探索晶体学中尚未开发的邻域，以应用于数学、物理和化学。
