ZEOMICS - Zeolite Pore Characterization Web Tool

View Structure: ETS-10

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Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
30452 1124100245
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 
22 71  7  0.28751
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
0.2870.203  34871691
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
5.95.6
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
15 21.0021.0014.51  90.0111.190.0
International Tables for Crystallography A (2006).
Coordination sequences.
T-atom NameCoordination Sequence (to Shell 10)
Ti161422426894134196244300
Ti261422425288144188214302
Ti361422426091139192229301
Si441224365985120194222248
Si541122395986130174222277
Si641122334980130173212270
Si741122395984124170230272
Si841122396392124169233289
Si941122335386125171223267
Si1041122334978125172219259
Si1141122335388130171215279
Si1241122396394130172224295
Si1341224366192124180222268
Si1441224366399128166218288

Citation (as supplied by submitter): Anderson, M. W., Terasaki, O., Ohsuna, T., Philippou, A., MacKay, S. P., Ferreira, A., Rocha, J., and Lidin, S. Structure of the microporous titanosilicate ETS-10. Nature, 367(6461):347-351, 1994.

Submitted on March 14, 2011. 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.