articleDiffusion and defect data, solid state data. Part B, Solid state phenomena/Solid state phenomenaDec 1, 2007Closed access

Three-Dimensional Visualization in Powder Diffraction

FIFujio IzumiKMKoichi Momma

National Institute for Materials Science · Tohoku University

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Abstract

A multi-purpose pattern-fitting system, RIETAN-2000, has been extensively utilized to contribute to many structural studies. It offers a sophisticated structure-refinement technique of whole-pattern fitting based on the maximum-entropy method (MEM) in combination with a MEM analysis program PRIMA. We have recently completed a successor system, RIETAN-FP, to RIETAN-2000, adding new features such as standardization of crystal-structure data, an extended March-Dollase preferred-orientation function, and automation of imposing restraints on bond lengths and angles. Further, we have been developing a new three-dimensional visualization system, VESTA, using wxWidgets as a C++ application framework. VESTA excels in…

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Topics & keywords

Topics
Keywords
  • Visualization
  • Materials science
  • Neutron diffraction
  • Diffraction
  • Standardization
  • Neutron
  • Crystallography
  • Computer science
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