MOLDRAW: a program to display and manipulate molecular and crystalline structures

 

by Piero UGLIENGO  University of Torino - Dipartimento Chimica. Via P. Giuria 7 -10125 Torino. ITALY

MS Windows (Linux & Mac OS X) - http://www.moldraw.unito.it  
Navigate · Version · Site Map · Download · Acknowledgments · About the author
Main features  · Topics  · Running on Linux  · Running on Mac OS X  · Useful Web Links  · License agreement

Topics

New structure
Saving
Merging
Perspective
Crystal cell
Crystal box
Manipulation
Gaussian98
CRYSTAL
MOPAC
VASP
Nice pictures
Chime structures
Jmol structures
Viewing

Making a crystal box

 

To make a larger portion of the crystal structure than a single unit cell choose the menu (Crystal--->Make box). By moving the sliders, multiples of the unit cell edges are generated.

 

Below the unit cell and a packing (-1=a=1; -1=b=1; 0=c=1of the calcium fluoride (CaF2) crystal is shown.

 

 


 


 

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