This work is from a past project of an examination of the (-110) surface of Aluminum Oxide. We used Accelrys Materials Studio 2.2 to run our calculations, specifically the program CASTEP.

This is the rhombohedral primitive cell for Aluminum Oxide. In my calculations, I create my surface, and then produce a cell with 60 atoms, 36 Oxygen, 24 Aluminum. My calculations are run on this surface with a vacuum slab of 10 Angstroms.

Here is a link to my most recent report on the (-110) Surface of Alumina.

Here are a few pictures of my surface, from different angles:

Here are a few pictures of my surface after running Geometry Optimization.
Notice the shift circled atoms.