CaRIne Features
Real Lattices:
- Over 500 example files of structures, motifs, unit cells, and crystals
- Atoms, ions and their radii are selected from a periodic table
- 14 Bravais lattices
- 230 space groups
- Graphics: perspective, shading, compact view or all degree of "ball and sticks"
- Texture: visualization of the crystal orientation relatively to the rolling plane and direction
- Defects: vacancies, interstitials, substitutions, displacements, anti-sites
- Interactive geometric calculations : every angle and distance are obtained with the mouse
- Definition of planes and directions with the mouse
- Calculation lists: interplanar distances, structure factors, inter planar angles, interatomic distance
- Study of the site environment (shells)
- Coordination polyhedrons from the selection of the central atom with the mouse
- CaRIne can also automatically search for equivalent polyhedrons in the structure
Reciprocal Lattices:
- Visualization in three dimensions.
- Radii of nodes can be set proportionally to the structure factor computed from Z.
- Visualization in two dimensions with a plane cut of the 3D reciprocal lattice.
- Functions to help interpret electronic diffraction patterns.
Stereographic projections:
- Directions, poles and plane traces are projected. Every combination is possible - 3 or 4 indices
- Interactive geometric calculations
- Editing of stereographic projections
X-ray diffraction patterns:
- Calculation of peak positions and intensities
- Includes atomic scattering factors
- View patterns of mixed powders
- Important experimental and reference data /li>
Interactivity between the diverse representations:
- Association of real lattices, epitaxial relations.
- Visualization of orientation relationships between real and reciprocal lattices.
- Simultaneous rotations of the real lattices, reciprocal lattices and stereographic projections.
- Superpositions of stereographic projections of different structures.
- Continuous re-calculations of the XRD, reciprocal lattice and stereographic projection.
Editing drawings:
- High quality graphics
- Fast 3D rotations and projections
Import/export of data:
- Exports images as PICT for Mac OS and WMF for Windows
- Several text file formats allow exchange with other software of: atomic positions and characteristics, space group, cell parameters, cartesian coordinates, graphic options, list of interplanar distances and angles, multiplicities, structure factors, and XRD.
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