See what you will probably never see in reality, thanks to
the PCOD
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
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...
PCOD1534803 V3B11O24
CIF
![](1534803-1.jpg)
PCOD1532281 V6B16O39
CIF
![](1532281-1.jpg)
PCOD1534459 V2B16O29
CIF
![](1534459-1.jpg)
PCOD1531312 V2B12O23
CIF
![](1531312-1.jpg)
PCOD1534135 V2B8O17
CIF
![](1534135-1.jpg)
PCOD1531540 VB3O7 CIF
![](1531540-1.jpg)
PCOD1530709 V6B16O39
CIF
![](1530709-1.jpg)
PCOD1533904 V2B16O29
CIF
![](1533904-1.jpg)
PCOD1534143 VB19O31 CIF
![](1534143-2.jpg)
![](1534143-1.jpg)
PCOD1534127 VB11O19 CIF
![](1534127-1.jpg)
PCOD1534441 V2B4O11
CIF
![](1534441-1.jpg)
PCOD1534302 VB3O7 CIF
![](1534302-1.jpg)
PCOD1530671 VB11O19 CIF
![](1530671-1.jpg)
PCOD1534325 V2B16O29
CIF
![](1534325-1.jpg)
PCOD1534653 V3B23O42
CIF
![](1534653-1.jpg)
PCOD1534226 V2B16O29
CIF
![](1534226-1.jpg)
PCOD1530389 VB7O13 CIF
![](1530389-1.jpg)
PCOD1530411 V4B2O13
CIF
![](1530411-1.jpg)
PCOD1530612 V6B4O21
CIF
![](1530612-1.jpg)
PCOD1533662 V5B11O22
CIF
![](1533662-1.jpg)
PCOD1531783 V6B8O27
CIF
![](1531783-1.jpg)
PCOD1531554 V3BO9 CIF
![](1531554-1.jpg)
PCOD1534050 VB5O10 CIF
![](1534050-1.jpg)
PCOD1531222 V2B8O17
CIF
![](1531222-1.jpg)
PCOD1531380 V2B8O17
CIF
![](1531380-1.jpg)
PCOD1531973 VB9O16 CIF
![](1531973-1.jpg)
![](1531973-2.jpg)
PCOD1532966 V2B4O11
CIF
![](1532966-1.jpg)
PCOD1533451 V2B16O29
CIF
![](1533451-1.jpg)
PCOD1530941 V2B8O17
CIF
![](1530941-1.jpg)
PCOD1530946 V3BO9 CIF
![](1530946-1.jpg)
© Armel Le Bail - 2018 - alb@cristal.org