See what you will probably never see in reality, thanks to the PCOD
Two-dimensional titanosilicate models (not DFT-optimized) as predicted
by GRINSP
They can be porous too...
Models selected among 3803 CIFs including 3D and 2D titanosilicates - TiO6
octahedra or trigonal prisms connected to SiO4 tetrahedra
exclusively by corner-sharing
Not exhaustive list (more will be added during the next weeks, maybe)...
References for these predictions :
1- Inorganic structure prediction with GRINSP. A. Le Bail, J. Appl. Cryst.
38 (2005) 389-395. http://journals.iucr.org/j/issues/2005/02/00/cg5019/
2- Predicted corner-sharing titanium silicates. A. Le Bail, Z. Kristallogr.,
Suppl. 26 (2007) 203-208. https://www.researchgate.net/publication/228093494_Predicted_corner-sharing_titanium_silicates
3- Powerpoint file : Contribution to the "Gordon Conference Style" Workshop
: Global Optimisation Techniques Applied to the Prediction of Structures,
5-7 July 2006, University College London (.ppt
or zipped)
4- Advances in structure prediction of inorganic compounds. A. Le Bail,
Report of 2nd Algerian Crystallography Congress, Algérie (2005). http://arxiv.org/abs/cond-mat/0606025
5- Hypothetical AlF3 crystal structures, A. Le Bail, F.
Calvayrac, J. Solid State Chem., 179 (2006) 3159-3166.
6- Inorganic structure prediction: too much and not enough, A. Le Bail,
Solid State Phenomena 130 (2007) 1-6.
7- Frontiers between crystal structure prediction and determination by
powder diffractometry, A. Le Bail, Powder Diffraction, S23 (2008) S5-S12.
8- Databases of virtual inorganic crystal structures and their applications,
A. Le Bail, Phys. Chem. Chem. Phys. 12 (2010) 8521-8530. DOI:
10.1039/c003907c
Etc - search by yourself after all...
PCOD3201642 TiSi4O11 octahedra +
tetrahedra CIF
PCOD3202664 TiSi4O11 octahedra +
tetrahedra CIF
PCOD3201586 TiSi4O11
octahedra + tetrahedra CIF
PCOD3201747 TiSi8O19 octahedra +
tetrahedra CIF
PCOD3201158 TiSiO5 octahedra +
tetrahedra CIF
PCOD3202448 TiSiO5 octahedra +
tetrahedra CIF
PCOD3203103 TiSi18O39
trigonal prisms + tetrahedra CIF
PCOD3203699 TiSi18O39 trigonal prisms +
tetrahedra CIF
PCOD3203784 TiSi6O15 trigonal prisms
+ tetrahedra CIF
PCOD3202824 TiSi12O27 trigonal prisms
+ tetrahedra CIF
PCOD3203589 TiSi14O31
trigonal prisms + tetrahedra CIF
PCOD3203678 TiSi10O23 trigonal
prisms + tetrahedra CIF
PCOD3203675 TiSi9O21
trigonal prisms + tetrahedra CIF
PCOD3201354 TiSi6O15 octahedra
+ tetrahedra CIF
PCOD3201487 Ti2Si5O16
octahedra + tetrahedra CIF
PCOD3201485 TiSi6O15 octahedra +
tetrahedra CIF
PCOD3201615 Ti2Si3O12
octahedra + tetrahedra CIF
PCOD3201114 Ti4Si9O30
octahedra + tetrahedra CIF
PCOD3201744 TiSi10O23
octahedra + tetrahedra CIF
PCOD3201398 TiSi2O7
octahedra + tetrahedra CIF
PCOD3201478 TiSiO5 octahedra +
tetrahedra CIF
PCOD3202563 TiSi6O15
octahedra + tetrahedra CIF
PCOD3201869 TiSi10O23
octahedra + tetrahedra CIF
PCOD3203507 TiSi4O11
octahedra + tetrahedra CIF
PCOD3202437 TiSi3O9
octahedra + tetrahedra CIF
PCOD3202128 TiSi4O11 octahedra +
tetrahedra CIF
PCOD3203627 TiSi2O7
octahedra + tetrahedra CIF
PCOD3202444 TiSiO5 octahedra +
tetrahedra CIF
PCOD3201364 TiSi3O9
octahedra + tetrahedra CIF
PCOD3203799 TiSi3O9
octahedra + tetrahedra CIF