ZEOMICS - Zeolite Pore Characterization Web Tool

View Structure: TUN (TNU-9)

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Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
576176 8630148253
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 
4 45 15  15 21  0.26046
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
0.2410.2140.096  17201463384
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
9.16.0
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
12 27.8420.0219.60  90.093.290.0
International Tables for Crystallography A (2006).
Coordination sequences.
T-atom NameCoordination Sequence (to Shell 10)
T141222345988116157198235
T241220376088117147192246
T341221396284115155201242
T441222375889124158190234
T541224385988119156195240
T641121345790123150187238
T741022396283109156201241
T841223385983118159197239
T941124395886122158190237
T1041221375690121154198234
T1141222365587129158186233
T1241122365587123159188237
T1341121355886117150198241
T1441222335588124153187238
T1541121366087113150199244
T1641220366087113154196244
T1741219376287115153194243
T1841220416184119146197250
T1941123376088121155200235
T2041121386086116152197247
T2141123385687122152193241
T2241224386191121154194244
T2341222375786121160194236
T2441221366692112151202250

Citation: Baerlocher, C. and McCusker, L. Database of Zeolite Structures. http://www.iza-structure.org/databases/, 2013. Accessed on April 23, 2013. Framework Type TUN (Material: TNU-9)

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.