6533b7d0fe1ef96bd125a3c8

RESEARCH PRODUCT

Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction

Timo SchülerEnrico MugnaioliNiklas LogesMartin PanthöferWolfgang TremelUte KolbRobert E. DinnebierIryna Andrusenko

subject

DiffractionReflection high-energy electron diffractionmetastable phaseElectron crystallographyChemistryResolution (electron density)Analytical chemistrybiomineralization; calcium carbonate; electron crystallography; metastable phase; structure determinationElectronsGeneral ChemistrybiomineralizationCatalysisNanocrystalline materialstructure determinationAutomationCrystallographyelectron crystallographyX-Ray DiffractionElectron diffractionMicroscopy Electron ScanningNanoparticlescalcium carbonateAntacidsPowder diffractionElectron backscatter diffraction

description

tion that is fundamental for understanding material properties. Still, a number of compounds have eluded such kinds of analysis because they are nanocrystalline, highly disordered, with strong pseudosymmetries or available only in small amounts in polyphasic or polymorphic systems. These materials are crystallographically intractable with conventional Xray or synchrotron radiation diffraction techniques. Single nanoparticles can be visualized by high-resolution transmission electron microscopy (HR-TEM) up to sub�ngstrom resolution, [2] but obtaining 3D information is still a difficult task, especially for highly beam-sensitive materials and crystal structures with long cell parameters. Electron diffraction (ED) delivers higher resolved data with a significant lower electron dose on the sample, but is biased by a substantial number of missing reflections and the occurrence of dynamic scattering that affects reflection intensities. [3] Therefore, ED is mainly used in combination with Xray powder diffraction and high-resolution electron microscopy. [4]

10.1002/anie.201200845http://hdl.handle.net/11568/1131210