Hi,
Where can I find a correct crystallography information file (.cif) for titanate nanotubes? I need crystal structure information, as atom fractional coordinates.
Thanks!
Dear Silviu,
Kindly follow the link to get CIF files of organic and Inorganic compounds. There you may find the compound you are looking for
http://www.crystallography.net/
Dear Silviu,
Since different titanate structures can be produced via the alkaline treatment of crystalline TiO2 under different conditions, you need to be a little more specific when saying you want the .cif file for "titanate nanotubes". For instance, are you interested in H2Ti2O4(OH)2 or H2Ti2O5 ·H2O or H0.7Ti1.825[ ]0.175O4 ·H2O or any of the other ones...?
If I were you, I would search the internet and contact the authors of the article you find most interesting.
regards,
Daniel
Hi,
I have done lot of searching. Tested a lot of cif files for different structures, including the ones you mentioned. It will be helpful for me if you have H2Ti2O4(OH)2 or H2Ti2O5 ·H2O. Thanks
Hi again, Silviu!
The only three-element structures (H, O, and Ti) in the Inorganic Crystal Structure Database are the following:
C2/c
1) H2TiO3
C2/m
1) H2(Ti6O13) - two different structures
2a) Ti3O5(OH)2 - two different structures
2b) H2Ti3O7 - possibly similar or even identical to either/both in 2a)
3) H2Ti3O7 . H2O
Cmcm
1) Ti0.374O0.5(OH)0.5
P42/mnm (rutile)
1) Ti0.98O1.892(OH)0.108
Pnma
1) H0.572Ti0.858O2
If any of these are of interest, I can send the coordinates to you. I have no idea if they are or can form nanotubes.
regards,
Daniel
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