[Pw_forum] titania crystal stucture

[Luke Thulin]

Hello,

I'd like to model the band structure of anatase titania, but I'm having 
more difficulty than I expected just finding the coordinates for the 
atoms in the unit cell.  So far I've only been able to find out that it 
has some type of tetragonal or body centered tetragonal structure with a 
= 3.785A and c=9.514A.  Can anyone help me fill in the rest of what I 
need to enter the structure into QE so I can get a good visual of it in 
XCrysDen?  Or for future reference, does anyone know of any resources, 
online or otherwise, of the crystal structures of some common compounds 
such as this?

Thank you very much,
Luke Thulin