Electron Diffraction vs aperiodic crystal: from indexation to structure solution
نویسندگان
چکیده
منابع مشابه
Combining precession electron diffraction data with X-ray powder diffraction data to facilitate structure solution
Information derived from precession electron diffraction (PED) patterns can be used to advantage in combination with high-resolution X-ray powder diffraction data to solve crystal structures that resist solution from X-ray data alone. PED data have been exploited in two different ways for this purpose: (1) to identify weak reflections and (2) to estimate the phases of the reflections in the pro...
متن کاملCrystal Structure Analysis of Pharmaceuticals with Electron Diffraction
X-Ray powder diffraction (XRPD) has already successfully been used for a long time in the field of pharmaceuticals for polymorph screening (fingerprinting) and more recently for the structural and microstructural analysis of active pharmaceutical ingredients (API) and excipients.Large enough single crystals are in fact either very difficult to growth or do not represent well the properties of t...
متن کاملStructure refinement from precession electron diffraction data.
Electron diffraction is a unique tool for analysing the crystal structures of very small crystals. In particular, precession electron diffraction has been shown to be a useful method for ab initio structure solution. In this work it is demonstrated that precession electron diffraction data can also be successfully used for structure refinement, if the dynamical theory of diffraction is used for...
متن کاملUnderstanding the Crystal Structure of Layered LiNi0.5Mn0.5O2 by Electron Diffraction and Powder Diffraction Simulation
Advanced Materials for Microand Nano-Systems, Singapore-MIT Alliance, Singapore 117576 Department of Materials Science and Engineering, Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794, USA Brookhaven National Laboratory, Materials Sci...
متن کاملSubtleties in crystal structure solution from powder diffraction data using simulated annealing: ranitidine hydrochloride.
Recent advances in crystallographic computing and availability of high-resolution diffraction data have made it relatively easy to solve crystal structures from powders that would have traditionally required single crystal samples. The success of direct space methods depends heavily on starting with an accurate molecular model. In this paper we address the applicability of using these methods i...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2014
ISSN: 2053-2733
DOI: 10.1107/s2053273314088056