Hello-

I am attempting to model a 1:1 periodic clay structure with a variable interlayer space.  I am working off of the given kaolinite structure that came with the program.  Kaolinite typically does not have an expandable interlayer space (along the c-axis), unlike 2:1 clays.  However, I am attempting to create such a space through the creation of layer charges.  My issue is that the method we use to expand the interlayer space is typically by increasing the c lattice parameter to the desired amount, which works for 2:1 clays.  In kaolinite, increasing the c axis simply stretches out the atoms, rather than increases the empty space.

To try and create the empty interlayer space, I used the "build layers" function and made layer 1 my kaolinite structure.  I added a vacuum on top of it using the layer details tab, and now I can increase and decrease my c layer as desired.  However, I'm not sure if this was a legitimate way to do it.  Does anyone have any advice (i.e. whether that's okay, or a better way for me to create that space)?

Thanks!