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This page contains some of the structures I have modelled in the past. If you would like to get their atomic coordinates, you can just email me.

Disclinations in graphitic carbon and boron nitride: nanocones and saddles
Polyhedral models of allophane et al.
F phase (Mg21(Zn,Al)17)




Disclinations in graphitic carbon and boron nitride: nanocones and saddles
The cone model shown below is for a 180° disclination in carbon.  Negative disclinations, or saddles, have never been observed in real materials. 240° and 300° disclinations were observed in boron nitride (see Publications List) and corresponding models are shown below the carbon surfaces.


 



Polyhedral models of allophane et al.
The two structures shown below, courtesy of Dr. Les Bursill, are a graphitic sheet mapped onto an icosahedron (as in the Fullerene family) and a tetrahedron. They can be used as the basis for polyhedral models of allophane, an alumino-silicate mineral consisting of 4 nm wide spheroidal shells. The third picture is such a model using the octahedron as the basic polyhedron (see Publication List).


 



Layers in the F phase
This phase is one of the two equilibrium ternary phases found in the Mg-Zn-Al alloy system. It has composition Mg21(Zn,Al)17, space group Pbcm, and lattice parameters a=0.90 nm, b=1.70 nm, c=1.97 nm (see Publication List).