Software for Crystallography

 

Java must be enabled on your browser to see the applet Visualisation of the crystallographic symmetry elements

 

Change the orientation of the model at any time by clicking the mouse on the display and dragging.

Hover the pointer over each control for information on what it does.

 

Point Groups Tab

Select the point group required from the drop down list.

The point group symmetry elements are displayed.

 

* Axes of symmetry are shown as green lines.  The numbers give the order of the axis, negative numbers specify axes of inversion.

* Mirror planes are shown by a green transparent circle.

* The blue lines show the edges of a unit cell for the corresponding crystal system.

 

Select a crystal direction  with the spinners.  When update is selected a point along this direction is shown together with all symmetry related points. Points which plot "below" the screen are plotted in a lighter colour.

 

Space Groups Tab

 

Enter the space group number (1 to 230) or the Hermann-Manguin (H-M) symbol or the Hall symbol. Enter the coordinates of a point in the cell.  Press update and a cell will be drawn showing the position of all points related by the space group symmetry to the point selected.  Information concerning the space group chosen will also be displayed. (It may take several seconds to display the first time you select a space group.)

 

Only  see a grey box with a red cross? You must get Java installed on your system.

References

Essentials of Crystallography D McKie and C McKie Blackwell Scientific Publications (1986)

Fundamentals of Crystallography C Giacovazzo et al Oxford University Press (1994)

Hall, S.R. Acta Cryst A37 517-525 (1981)

Grosse-Kunstleve R.W. Acta Cryst A55 383-395 (1999)

 

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