Crystal Structure of Y2Cu2O5 Refined from Powder Neutron Diffraction Data.

Crystal structure of (Li0.5K0.5)2C03 by neutron powder diffraction analysis

The crystal structure of (Li0.5K0.5)2C03 was determined by neutron powder diffraction. A final weighted R-factor of 4.54% was obtained for the refinement of 2373 reflections by the Rietveld method from a sample synthesized using 7Li2CO3 and K2CO3 (99.9% pure). Slight distortion of the CO$units in the monoclinic cell was observed; the O( 1)-C-0(2) angle and CO(3) length are larger than those for...

The Crystal Structure of Aspartame Anhydrate from Powder Diffraction Data

Structure determination from powder diffraction data.

Advances made over the past decade in structure determination from powder diffraction data are reviewed with particular emphasis on algorithmic developments and the successes and limitations of the technique. While global optimization methods have been successful in the solution of molecular crystal structures, new methods are required to make the solution of inorganic crystal structures more r...

Crystal Structure of Non-molecular Compounds from Powder Diffraction

Methods of structure determination from powder diffraction of non-molecular compounds (inorganics, extended solids, intermetallic compounds, etc.) are reviewed. They work either in reciprocal space or in direct space. Those working in reciprocal space use algorithms known from single crystal works (direct methods and Patterson synthesis) and need decomposition of powder patterns to individual r...

Synthesis and Crystal Structure of α-Ba2ZrF8 and Pb2ZrF8 Determined ab initio from Synchrotron and Neutron Powder Diffraction Data

— α-Ba2ZrF8 is prepared as systematically twinned crystals by hydrothermal synthesis (200°C) or as fine powders either on a sand bath (60°C) (aqueous HF medium) or by solid state reaction at 450°C. Synchrotron radiation was used because of ambiguities in indexations from conventional X-ray (pseudo-hexagonal symmetry). The structure was determined ab initio from synchrotron powder data. Neutron ...