ZEOMICS - Zeolite Pore Characterization Web Tool

View Structure: PKU-16

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Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
192100 1682016
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 
39 46  15  0.36557
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
0.3100.3100.169  14841484852
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
7.57.5
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
136 18.7118.7111.58  90.090.090.0
International Tables for Crystallography A (2006).
Coordination sequences.
T-atom NameCoordination Sequence (to Shell 10)
T14919345373100135176212
T2491733537496133177211
T341120284476110135156195
T441219315274103135169211
T541122314573109140167198

Citation (as supplied by submitter): Hua, W., Chen, H., Yu, Z.-B., Zou, X., Lin, J. and Sun, J. (2014), A Germanosilicate Structure with 111112-Ring Channels Solved by Electron Crystallography. Angew. Chem. Int. Ed.. doi: 10.1002/anie.201309766

Submitted on May 12, 2014. 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.