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CaRIne - Reciprocal Lattices and Diffraction


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Materials Properties

  • TAPP
  • Handbook of Optical Constants
  • SciGlass
  • Alloy Finder
  • Alloy Digest
  • Pauling File Binaries
  • MolSuite 2000

Thermochemistry

  • HSC Chemistry
  • FactSage
  • ChemSheet
  • ChemApp
  • SimuSage

Phase Diagrams

  • Phase Diagrams for Ceramists
  • ASM Binary Phase Diagrams
  • ASM Ternary Phase Diagrams

Crystallography

  • ATOMS
  • CaRIne
  • Crystal Studio
  • CrystalMaker
  • MDAT / MDATAUTO
  • SHAPE

Utilization

  • CompositePro

Laboratory Tools

  • Harmonex X-ray
  • Chemical Inventory Control
  • Lab Document Control
  • Instrument Maint.
  • Sample Tracking

Miscellaneous

  • Facsimile
  • MATTER
  • ADESH

All of the features described below are exclusive to the Windows version of CaRIne. Expect to find these capabilities for Linux and Mac OS X later this year.

The reciprocal lattice and stereographic projection images are linked to a crystal unit cell image in that rotation of the unit cell is accompanied by matching rotations in the reciprocal lattice and stereographic projection images.

  • Reciprocal lattices
    • 3D visualization : radii of nodes can be set proportionally to the structure factor computed with Z.
    • 2D visualization : plane cut of the reciprocal lattice from the definition of a zone axis
    • electronic diffraction pattern interpretation.
    • calculation functions to help interpreting electron diffraction patterns
    • graphic tools of measurement of distance and angles with the mouse.
    • mouse rotations with calculation of the zone axis in real time

  • X-Ray powder diffraction patterns
    • peak positions/intensities plotted vs. sin(theta)/lambda
    • built-in atomic scatering factors
    • peak widths accounted for
    • superposition of several patterns calculated by giving mixing coefficients for each powder
    • import and superposition of experimental and reference files (for example JCPDs

  • Stereographic projections
    • directions, poles and plane traces are projected
    • interactive geometric calculations with the mouse
    • editing of stereographic projections
    • orientation / rotation with the mouse
    • stereographic projections can be superposed for visualization of orientation relationships.

 


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