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Crystal Viewer Tutorial

Lesson 1

1. Download the cif. file into your computer. It is the AFR structure taken from the Database of Zeolite Struture.
   
2. Open the file in Crystal Viewer. What you see is 32 atoms in the orthorhombic unit cell. But 4 of them fall outside.
   The fact that people from the Database may use different symmetry operations than us leads to the 4 orphan atoms. Some simple translation will move these atoms back to the unit cell. This functionality will be included in the next version of Crystal Viewer. ( Fig 1. in Snap Shot)
3. Change number of cells in x, y and z dirention. (Fig. 2 -6)

To test the clipping functionality

1. Download and open this file in Crystal Viewer ( Fig.7). Right now the clipping is limited for cubic unit cell only. We need a transformation for other parallelepiped unit cells to cubic one. Please wait till the next version.
2. In Crystal Viewer switch to Crystal Clipping tab. Type the information for you clipping plane. For example, if you want to have the [1 .5 0] surface then type these numbers to Ca, Cb and Cc boxes.
   
3. Click Show to see the new cell ( Fig.8).
   
4. Click Clip ( Fig.9).
5. You can save the coordinates and basic vectors into files.
   

Fig. 1. AFR-111.JPG

Fig. 2. AFR-311.JPG

Fig. 3. AFR-311_2.JPG

Fig. 4. AFR-313.JPG

Fig. 5. AFR-333.JPG

Fig. 6. AFR-333_2.JPG

Fig. 7. FAU_unit_cell.JPG

Fig. 8. FAU_unit_cell_+_clip.JPG

Fig. 9. ^? FAU_clip.JPG

ManoharNayak - 27 Jun 2006

PriyaMahajan - 28 Jun 2006

HoaNguyen - 14 August 2006