Automated electron diffraction tomography - a new tool for nano crystal structure analysis

2011 ◽  
Vol 46 (6) ◽  
pp. 542-554 ◽  
Author(s):  
U. Kolb ◽  
E. Mugnaioli ◽  
T. E. Gorelik
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Diffraction Tomography ◽  
Nano Crystal

scholarly journals Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations

RSC Advances ◽  
2019 ◽  
Vol 9 (34) ◽  
pp. 19657-19661 ◽  
Author(s):  
Gwladys Steciuk ◽  
Seyedayat Ghazisaeed ◽  
Boris Kiefer ◽  
Jakub Plášil
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Electron Diffraction ◽  
Dft Calculations ◽  
Density Functional ◽  
Diffraction Tomography ◽  
Functional Theory ◽  
Phosphate Mineral ◽  
Precession Electron Diffraction ◽  
Nano Crystal

The crystal structure of the U(iv)-phosphate mineral vyacheslavite has been solved from precession electron diffraction tomography (PEDT) data from the natural nano-crystal and further refined using density-functional theory (DFT) calculations.

scholarly journals Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data

2012 ◽  
Vol 68 (2) ◽  
pp. 171-181 ◽  
Author(s):  
Tatiana E. Gorelik ◽  
Jacco van de Streek ◽  
Andreas F. M. Kilbinger ◽  
Gunther Brunklaus ◽  
Ute Kolb
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Electron Diffraction ◽  
Ab Initio ◽  
Structure Analysis ◽  
Diffraction Data ◽  
Crystal Structure Analysis ◽  
Electron Diffraction Data ◽  
Perfect Agreement ◽  
Bonding Scheme

Ab-initio crystal structure analysis of organic materials from electron diffraction data is presented. The data were collected using the automated electron diffraction tomography (ADT) technique. The structure solution and refinement route is first validated on the basis of the known crystal structure of tri-p-benzamide. The same procedure is then applied to solve the previously unknown crystal structure of tetra-p-benzamide. In the crystal structure of tetra-p-benzamide, an unusual hydrogen-bonding scheme is realised; the hydrogen-bonding scheme is, however, in perfect agreement with solid-state NMR data.

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