ZEOMICS - Zeolite Pore Characterization Web Tool

View Structure: Beta Polymorph A

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Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
19256 381283156
Pore size distribution.
% Pore Volume in Features Total Pore Volume
Channel Diameter (Å) Cage Diameter (Å)  
cm3
g
% of Total
Volume
< 44–6> 6 < 66–8> 8 
1 3 76  20  0.42364
Accessible volume and surface area as a function of molecule size.
Volume (cm3/g) Surface Area (m2/g)
Characteristic Molecule Diam. (Å)  Characteristic Molecule Diam. (Å)
2468  2468
0.3730.3320.321  822584584
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
6.86.8
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
91 12.6612.6626.41  90.090.090.0
International Tables for Crystallography A (2006).
Coordination sequences.
T-atom NameCoordination Sequence (to Shell 10)
T141118294880107133160203
T241118294877106134160204
T341021324976109137170207
T441021324974105139173204
T541019325177105133167207
T641019325175102133170208
T741217305477106134160212
T841218315176109133164210
T941219324875112134164206

Citation (as supplied by submitter): Newsam, J.M., Treacy, M.M.J., Koetsier, W.T. and de Gruyter, C.B. Proc. R. Soc. Lond. A, 420, 375-405 (1988). CIF taken from the IZA-SC Database of Zeolite Structures. Ch. Baerlocher and L.B. McCusker, Database of Zeolite Structures: http://www.iza-structure.org/databases/.

Submitted on December 13, 2013. Download CIF File

Note: An oxygen radius of 1 Å is used throughout.

Citing ZEOMICS

Please acknowledge use of characterization results from ZEOMICS using the following citation:

First, E. L., Gounaris, C. E., Wei, J., and Floudas, C. A. Computational characterization of zeolite porous networks: an automated approach. Physical Chemistry Chemical Physics, 13(38):17339–17358, 2011.