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
PCOD1532281 V6B16O39
CIF
PCOD1534459 V2B16O29
CIF
PCOD1531312 V2B12O23
CIF
PCOD1534135 V2B8O17
CIF
PCOD1531540 VB3O7 CIF
PCOD1530709 V6B16O39
CIF
PCOD1533904 V2B16O29
CIF
PCOD1534143 VB19O31 CIF
PCOD1534127 VB11O19 CIF
PCOD1534441 V2B4O11
CIF
PCOD1534302 VB3O7 CIF
PCOD1530671 VB11O19 CIF
PCOD1534325 V2B16O29
CIF
PCOD1534653 V3B23O42
CIF
PCOD1534226 V2B16O29
CIF
PCOD1530389 VB7O13 CIF
PCOD1530411 V4B2O13
CIF
PCOD1530612 V6B4O21
CIF
PCOD1533662 V5B11O22
CIF
PCOD1531783 V6B8O27
CIF
PCOD1531554 V3BO9 CIF
PCOD1534050 VB5O10 CIF
PCOD1531222 V2B8O17
CIF
PCOD1531380 V2B8O17
CIF
PCOD1531973 VB9O16 CIF
PCOD1532966 V2B4O11
CIF
PCOD1533451 V2B16O29
CIF
PCOD1530941 V2B8O17
CIF
PCOD1530946 V3BO9 CIF
© Armel Le Bail - 2018 - alb@cristal.org