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Diamond Gallery

On this page you can get an impression of the broad variety of possible applications of Diamond. Every picture is also available as '.dsf' file, which you can download and explore using the Diamond Demo version. In addition you can inspect the scenes using VRML viewers.


Convex cavities in spinel structure Delocalized bonds in alpha-boron Hydrogen bonds Active center of Hemoglobine
Surface absorption of small molecules Complex coordination in Zeolithes Visualization of symmetry elements


Convex cavities in spinel structure

In the spinel-type structure of MgAl2O4, Mg-ions occupy tetrahedral-shaped cavities within the oxygen framework (green tetrahedrons) whereas 50% of the octahedral-shaped cavities are occupied by Al-ions (blue). Using dummy atoms (invisible because radius set to zero) as centers of translucent coordination polyhedra it is easy to visualize even the unoccupied cavities.

Click here for download of the Diamond '.dsf' file: spinel.dsf (41 KB)
Click here for VRML file: spinel.wrl (411 KB)


Delocalized bonds in alpha-boron

View between two layers of boron icosahedras. In the upper layer the green broken lines indicate the delocalized 2-electron-3-center bonds between the icoshedras. The centers of the delocalized bonds were 'constructed' using dummy atoms (structure data taken from the ICSD).

Click here for download of the Diamond '.dsf' file: boron.dsf (251 KB)
Click here for VRML file: boron.wrl (4953 KB)


Hydrogen bonds

Having control over connectivity criteria and bond designs allows easily localization and display of hydrogen bonds - as shown here in a hexagonal ice modification (structure data taken from the ICSD).

Click here for download of the Diamond '.dsf' file: ice.dsf (9 KB)
Click here for VRML file: ice.wrl (66 KB)


Active center of Hemoglobine

Exploring a 10 Angstrom sphere around the iron atom within the hemoglobine molecule shows the geometric details of the area responsible for the essential oxygen transport (data taken from the PDB).

Click here for download of the Diamond '.dsf' file: hemoglobine.dsf (327 KB)
Click here for VRML file: hemoglobine.wrl (92 KB)


Surface absorption of small molecules

Using the free cartesian XYZ format allows easy data exchange with other software (e.g. modelling programs). This example shows CO molecules 'on-top' coordinated to Pt atoms within a (111) surface of Cu3Pt. The surface was prepared with Diamond (data taken from Pauling File)

Click here for download of the Diamond '.dsf' file: surface.dsf (207 KB)
Click here for VRML file: surface.wrl (1503 KB)


Complex coordination in Zeolithes

Having control over connectivity criteria and using filters it is easy to construct complex polyhedra frameworks like this Faujasite example (data taken from ICSD).

Click here for download of the Diamond '.dsf' file: faujasite.dsf (45 KB)
Click here for VRML file: faujasite.wrl (779 KB)


Visualization of symmetry elements

Though DIAMOND has no special feature for the automatic presentation of symmetry elements, it is easily possible to visualize them as shown in this example of hexagonal Lithiumperoxide with six-fold rotation axes and the corresponding mirror plane (spacegroup P-6; data taken from ICSD).

Click here for download of the Diamond '.dsf' file: symmetry.dsf (7 KB)
Click here for VRML file: symmetry.wrl (21 KB)