Ca.R.Ine Crystallography, version 3.0 (c) 1989 - 1996

Ca.R.Ine Crystallography version 3.0 deals interactively with several geometric visualisations of crystals: real lattices, reciprocal lattices in 3D and 2D, stereographic projections, X-Rays diffraction patterns (XRD). These functionnalities used to be dispatched into different softwares. Ca.R.Ine unifies them into a nice convivial interface for simplicity and efficiency. Moreover, this unification permits Ca.R.Ine to expose clearly the relationships between these graphical representations. This is greatly appreciated for teaching purposes.

Ca.R.Ine is also a very fast way to edit structure drawings, stereographic projections, reciprocal lattices,...: every drawing or calculation result can be copy/paste to your favorite word processor or drawing software, under Windows or Mac/Power Mac.

This software is the only one (from our knowledge ) to combine the 3D visualisation of direct and reciprocal lattices, plane cuts of both, stereographic projections, powder XRD, and to allow these different representations to interact with each other.

This is done inside an interface realised at the highest standart of conviviality (GUI, multi-windows, context-sensitive popup menus, dialogue control, icon bars, tools bars for each representation).

Click here for an example.

Ca.R.Ine is currently used in 16 countries, for teaching and research, in chemistry and materials science since 1989.

Real lattices

• interactive 3D Crystallography
• manipulate all kinds of crystal structures
• this is a multi-windows software, then it is possible to compare structures
• rotations
• projections
• cut by a plane (e.g.to study surface structures)
• Bravais lattices
• space groups
• database
• coordination polyhedrons of all kinds
• thousands of atoms
• vis. point defects, allows to show lattice relaxation or dislocations
• epitaxial relations can be defined between real lattices, and studied on stereographic projections
• visualisation of textures
• ....

From a real lattice window, several other windows can be opened:

• powder X-ray diffraction
• reciprocal lattice in 3D and 2D cut -> electron diffraction pattern
• stereographic projections

XRD

• From a real lattice window, it is possible to open a X-Rays Diffraction window, where the powder X-Rays diffraction diagram is calculated and drawn. The XRD (powder) is dynamically linked to the real lattice. If, for example, you modify the unit cell by inserting an interstitial (using the mouse), the XRD is immediatly re-calculated.

Electronic Diffraction / Reciprocal lattices

• From a real lattice window, it is possible to open a Reciprocal Lattice window, where the Rec. Lattice will be drawn in 3D. The radii of the nodes are proportionnal to the structure factors. It is possible to cut the Rec.Latt. by a plane, to help interpreting the electronic diffraction. Distances and angles can be taken using the mouse. The Rec.Latt. window is dynamically linked to the direct lattice window, for the rotations and for the structure factors calculations.

Stereographic Projections

• 3 and 4 indexes
• plot plane normals, plane traces, zone directions. The Stereographic Projection window is dynamically linked to the direct lattice window for the 3D rotations. It works in both directions, i.e. the stereographic projection can be used to orient the Direct lattice.

Lists of calulations

• structure factors, angles between planes and directions, d spacings etc. can be saved into text files.

Graphics

• labelling
• libraries of unit cells and crystals (more than 200 files)
• inputs/outputs of every step of your work
• Standard ASCII files for the cell and for the 3D crystal built from the unit cell
• quality output to every printers or to other Mac or Windows packages e.g. Draw, Mac Draw, Word, for incorporation into documents.

The great originality of the CaRIne Software is its possibilities of interactions between crystallographic visualisations:

• seeing consequences of structure modifications on XRD peaks intensities or on reciprocal lattice.
• seeing the orientation relationships between different structures by supperposition of their stereographic projections.
• use stereographic projection to orient the direct lattice, by moving spots on the stereographic projection using the mouse.
• help students to vizualise the geometric relationship between the direct and the reciprocal lattice (if you modify values of the cell parameters, the reciprocal lattice is immediatly re-calculated; same if you rotate the real lattice).
• etc...

Documentation

Demonstration Version

• for Windows and MacOS at ftp.lmcp.jussieu.fr/pub/sincris-top/software/general/carine
• Demos version, in English or in French, are also availables via surface mail: just send a floppy and your address to Cyrille Boudias (see below).

Distribution

Regular price is 3990 French Francs or US$795

Academic price is 2990 FF or US$595

Possibility to get site license. Price is highly decreasing with number.

The software is ditributed by the company: DIVERGENT S.A., which is the

technology transfert organization for the University of Compiegne, France.

DIVERGENT S.A.

Rond Point Guy Denielou

Centre de Transfert

60200 COMPIEGNE

FRANCE

FAX: (33) 03 44.23.45.30

SIRET 342.300.241.00011 APE : 7714

Further Information

Please send your comments and your suggestions to Yves Epelboin, epelboin@lmcp.jussieu.fr .