See what you will probably never see in reality, thanks to the PCOD
Two-dimensional B2O3 models (not DFT-optimized) as
predicted by GRINSP
They can be porous too...
Construction of these B2O3 models (3D,
2D, 1D and 0D)
described in 2005 and 2010 in refs. [1 and 8] - BO3 triangles
interconnected exclusively by corner-sharing. See other works in a 2012 paper and in a 2016 thesis.
Data from the 2009 (766 models) and 2010
(5118 models) PCOD updates.
Not exhaustive list (more will be added during the next weeks, maybe)...
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...
The following shows that GRINSP may be used for the automatic building
of decorative ceramic plaques for bathrooms or swimming pools ;-).
PCOD1500346 CIF
![](1500346-1.jpg)
PCOD1500362 CIF
![](1500362-1.jpg)
PCOD1500418 CIF
![](1500418-1.jpg)
PCOD1500156 CIF
![](1500156-1.jpg)
PCOD1500153 CIF
![](1500153-1.jpg)
PCOD1501713 CIF
![](1501713-1.jpg)
PCOD1501650 CIF
![](1501650-1.jpg)
PCOD1500158 CIF
![](1500158-1.jpg)
PCOD1500152 CIF
![](1500152-1.jpg)
PCOD1500144 CIF
![](1500144-1.jpg)
PCOD1500097 CIF
![](1500097-1.jpg)
PCOD1500147 CIF
![](1500147-1.jpg)
PCOD1500138 CIF
![](1500138-1.jpg)
PCOD1500105 CIF
![](1500105-1.jpg)
PCOD1501671 CIF
![](1501671-1.jpg)
PCOD1501659 CIF
![](1501659-1.jpg)
PCOD1500417 CIF
![](1500417-1.jpg)
PCOD1500048 CIF
![](1500048-1.jpg)
PCOD1500307 CIF
![](1500307-1.jpg)
PCOD1500251 CIF
![](1500251-1.jpg)
PCOD1501151 CIF
![](1501151-1.jpg)
PCOD1500731 CIF
![](1500731-1.jpg)
PCOD1502281 CIF
![](1502281-1.jpg)
PCOD1500002 CIF
![](1500002-1.jpg)
PCOD1500626 CIF
![](1500626-1.jpg)
PCOD1500003 CIF
![](1500003-1.jpg)
![](1500003-2.jpg)
PCOD1500617 CIF
![](1500617-1.jpg)
PCOD1500250 CIF
![](1500250-1.jpg)
![](1500250-2.jpg)
PCOD1500494 CIF
![](1500494-1.jpg)
PCOD1500664 CIF
![](1500664-1.jpg)
PCOD1500737 CIF
![](1500737-1.jpg)
PCOD1500591 CIF
![](1500591-1.jpg)
PCOD1500644 CIF
![](1500644-1.jpg)
PCOD1500736 CIF
![](1500736-1.jpg)
PCOD1500304 CIF
![](1500304-1.jpg)
PCOD1500560 CIF
![](1500560-1.jpg)
PCOD1500558 CIF
![](1500558-1.jpg)
PCOD1500709 CIF
![](1500709-1.jpg)
PCOD1500643 CIF
![](1500643-1.jpg)
PCOD1500681 CIF
![](1500681-1.jpg)
PCOD1500704 CIF
![](1500704-1.jpg)
PCOD1502072 CIF
![](1502072-1.jpg)
PCOD1501250 CIF
![](1501250-1.jpg)
PCOD1501545 CIF
![](1501545-1.jpg)
PCOD1500762 CIF
![](1500762-1.jpg)
PCOD1500724 CIF
![](1500724-1.jpg)
PCOD1500176 CIF
![](1500176-1.jpg)
PCOD1500142 CIF
![](1500142-1.jpg)