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Pearson's Crystal Data Features: Pictures of an entry each

Features overview
Previous: Configure the entry data sheet
Next: Phases list

A complete crystal structure visualization tool is integrated into the Pearson's Crystal Data software that allows the user to create a 3D structure picture of the unit cell with bonds (default setting). There are several settings available to change the size of the cell range as well as for model (default ball-and-stick, or wires or space-filling) as for the viewing direction.
You can rotate the structure with the mouse or change the enlargement factor or measure distances or angles by clicking two or three atoms in the structure picture each.

3D structure picture of an entry  

Calculated and/or published powder diffraction data are displayed on the "Powder pattern" tab sheet of the entry data view. If both calculated and published data are available, you can either display one of them or both at the same time:

Powder diffraction data of an entry  

On the "Distances/angles" tab sheet you get a list of distances, optionally with angles. For the atom that is currently selected in the list, a structure picture of its coordination sphere as well as corresponding distance histograms are displayed in the lower part.
By default the distance range depends on the atomic environment that is stored with the atom site each in the database. Alternatively you can define a fixed range in nanometers.

 

Features overview
Previous: Configure the entry data sheet
Next: Phases list