Dear MD users,

I would like to draw the acidic form of MFI Zeolite, substituting Si with AL and adding a Silanol group. I used Materials Studio to make the changes to the structure and build a final supercell. But in the final supercell, all the atoms bond to each other. For example, one Si atom has more than 10 bonds!

This is a bug.

Totally, What software do you suggest for making such structures?

Also, this is the procedure I follow:

1- Importing .cif file of unit cell

2- changing desired Si atoms with Al

3- adding hydrogen to one of the oxygens attached to the AL

4- expanding the cell to (e.g., 2*2*2)

5- exporting .pdb file

is it correct?

Thanks in advance for your answers