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.
2- Predicted corner-sharing titanium silicates. A. Le Bail, Z. Kristallogr., Suppl. 26 (2007) 203-208.
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).
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  -