CrystalDiffract lets you export the crystal structure used to simulate a powder pattern. The structure can be saved as a text file or you can opt to visualize the structure directly, in CrystalMaker.

To visualize the crystal in CrystalMaker Show

Select the simulated pattern whose structure you wish to visualize, then do one of the following:

If you have installed CrystalMaker on your system, that program will be launched, and one unit cell of the crystal shown. You can use CrystalMaker to change the range of atoms, the model type, and provide full 3D visualization.

To save the crystal as a CIF file Show

Do the following:

  1. Select the (simulated) pattern whose crystal structure you wish to visualize.

  2. Choose: File > Export > Crystal Structure > CIF.

To save the crystal as a CrystalMaker ("CMTX") text file Show

Do the following:

  1. Select the (simulated) pattern whose crystal structure you wish to visualize.

  2. Choose: File > Export > Crystal Structure > CrystalMaker Text.

See Also

Exporting Diffraction Data

Editing the crystal