See what you will probably never see in reality, thanks to
Two-dimensional borovanadate B2O3 / V2O5
models (not DFT-optimized) as predicted by GRINSP
Construction of these models (3D,
2D, 1D and 0D)
described in 2005 and 2010 in refs. [1 and 8] - BO3 triangles
and VO5 square pyramids (or/and VO5 trigonal
bi-pyramids) interconnected exclusively by corner-sharing. Data from the
2009 (4873 models) PCOD update.
Not exhaustive list (more will be added during the next weeks, maybe)...
CS = Coordination Sequence - same definition as for zeolites
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
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:
Etc - search by yourself after all...
PCOD1531540 VB3O7 CIF
PCOD1534143 VB19O31 CIF
PCOD1534127 VB11O19 CIF
PCOD1534302 VB3O7 CIF
PCOD1530671 VB11O19 CIF
PCOD1530389 VB7O13 CIF
PCOD1531554 V3BO9 CIF
PCOD1534050 VB5O10 CIF
PCOD1531973 VB9O16 CIF
PCOD1530946 V3BO9 CIF
© Armel Le Bail - 2018 - email@example.com