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provided by FIZ Karlsruhe

ICSD News

April 2013

ICSD now contains 161,030 crystal structures

October 2012

ICSD now contains 156,679 crystal structures

April 2012

ICSD now contains 150,042 crystal structures

Synoptic View

After selecting the desired crystal structures click on “Show Synoptic View” on top of the result list (Fig. 1). A new list of the previously selected entries will show up with a maximum of 6 entries per page (Fig. 2). Here it is possible to choose between displaying crystal structures or powder patterns in the Synoptic View.

 

Figure 1: Result set
Figure 1:
Result set

 

Figure 2: Synoptic View: Selected Entries
Figure 2:
Synoptic View: Selected Entries

 

Synoptic View: Crystal Structures

Selecting “Display Crystal Structures” from the selected entries list will display a page as shown in Fig. 3. This page is divided into 2 parts:

1. Navigation and Configuration
Up to 6 entries will be displayed per page. By using the arrow buttons you can jump to the first page, the previous page, the next page, and the last page, respectively.
The “Configure Structure Display” gives the possibility to influence display aspects as discussed here.
The button “Back to Entry Selection” takes you back to the previous menu.

2. Plot window
Up to 6 crystal structures will be displayed in individual Jmol windows. Changing display parameters apply to all visible structures. Note that the display of crystal structures is based on standardized data.

 

Figure 3: Synoptic View: Multiple plots of crystal structures
Figure 3: Synoptic View: Multiple plots of crystal structures

 

Synoptic View: Powder Patterns

Selecting “Display Powder Patterns” from the selected entries list will display a page as shown in Fig. 4. Note: The ICSD does not contain experimental powder data; powder diagrams are simulated on-the-fly. This page is divided into 3 parts:

1. Navigation
Up to 6 entries will be displayed per page. By using the arrow buttons you can jump to the first page, the previous page, the next page, and the last page, respectively.
By default the “Multiple Plot” is activated, showing the powder patterns in individual windows.
Clicking on “Staggered Plot” will show up to 6 powder diagrams in a single window with a small space (along the intensity axis) between single patterns (Fig. 5). The “Overlayed Plot” shows the powder diagrams without that space (Fig. 6).
The button “Back to Entry Selection” takes you back to the previous menu.

2. The “Configure Powder Patterns Calculation and Display” gives the possibility to influence display aspects as discussed here.

3. Plot window
Up to 6 powder patterns will be displayed in individual windows. Changing display parameters apply to all visible powder patterns.

In addition the Print link next to the logout option in the title bar will generate a properly formatted pdf-file containing the currently displayed selection.

 

Figure 4: Synoptic View: Multiple plots of powder patterns
Figure 4:
Synoptic View: Multiple plots of powder patterns

 

Figure 5: Staggered plot of powder patterns
Figure 5
: Staggered plot of powder patterns

 

Figure 6: Overlayed plot of powder patterns
Figure 6:
Overlayed plot of powder patterns