See what you will probably never see in reality, thanks to the PCOD
One-dimensional V2O5 models (not DFT-optimized) as
predicted by GRINSP
Construction of these V2O5 models (3D,
2D, and 1D) described in 2005 and 2010 in
refs. [1 and 8] - VO5 square pyramids or/and trigonal
bipyramids interconnected exclusively by corner-sharing. Data from the
2009 (1319 models) PCOD updates. Ordered by
increasing FD (Framework Density) : largest tunnels and biggest cavities.
Not exhaustive list (more will be added during the next weeks, maybe,
and also, much more can be obtained by running again GRINSP)...
References for these GRINSP 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...
PCOD5000713
CIF
PCOD5000911 CIF
PCOD5001231 CIF
