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EXPO

Crystal structures solution by powder diffraction data

  • EXPO Download
  • Contact us
  • EXPO download
  • General information
  • Preparation of data
  • Indexing
  • Space group determination
  • Structure solution by Direct Methods (DM)
  • Structure solution by direct space methods
  • Parallelism in Expo for structure solution by direct space method
  • Rietveld Refinement
  • Crystal Structure Visualization
  • Appendix A: Average volume of the atoms
  • Appendix B: Extinction symbols and corresponding space groups

Tools

The sub-menu Tools is shown on the left. It allows:

It allows:

Geometry optimization

Bond valence calculation

  • EXPO download
  • General information
    • EXPO installation
    • Tutorials
    • Preparing input file
    • Commands of EXPO2014
  • Preparation of data
  • Indexing
  • Space group determination
  • Structure solution by Direct Methods (DM)
    • The steps of structure solution by DM
      • Extraction of the integrated intensities
      • Normalization of the integrated intensities
      • Structure invariants estimate
      • Phasing by tangent formula
      • Fourier map calculation and crystal structure optimization
  • Structure solution by direct space methods
  • Parallelism in Expo for structure solution by direct space method
  • Rietveld Refinement
  • Crystal Structure Visualization
    • How to
    • File
    • Modify
    • Select
    • View
    • Tools
    • Info
  • Appendix A: Average volume of the atoms
  • Appendix B: Extinction symbols and corresponding space groups
  • Tutorials and Lectures
  • EXPO2014.pdf
  • EXPO Download
  • Contact us
  • EXPO download
  • General information
  • Preparation of data
  • Indexing
  • Space group determination
  • Structure solution by Direct Methods (DM)
  • Structure solution by direct space methods
  • Parallelism in Expo for structure solution by direct space method
  • Rietveld Refinement
  • Crystal Structure Visualization
  • Appendix A: Average volume of the atoms
  • Appendix B: Extinction symbols and corresponding space groups
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