ZEOMICS - Zeolite Pore Characterization Web Tool

View Structure: STO (SSZ-31 polymorph I)

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Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
336226 38377671
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 
9 56  36  0.24646
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
0.2040.1370.137  1320606606
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
6.76.7
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
10 29.898.3924.73  90.0105.090.0
International Tables for Crystallography A (2006).
Coordination sequences.
T-atom NameCoordination Sequence (to Shell 10)
T141223365987119152191240
T241224406184114153198242
T341223365988119152192242
T441225405985117154199244
T541224385886120157196239
T641224406085116152197246
T741223365987118155195238
T841223385783118158196237
T941223365988119152192240
T1041224385884119158197237
T1141225405983116155199243
T1241121355785117151193240
T1341121365784118153191235
T1441124405983116155199243
T1541123385884119158196236
T1641122375784119156195235
T1741121355686119151192240
T1841122385985120160195233
T1941123406284114154197241
T2041121365784117154193236
T2141123406084117157199240
T2241122375784119155194239
T2341123406284113152197242
T2441021365783116155194234
T2541020355785119152189239
T2641020355784118154193236
T2741020355784118152190237
T2841020355785118153191234

Citation: Baerlocher, C. and McCusker, L. Database of Zeolite Structures. http://www.iza-structure.org/databases/, 2013. Accessed on April 23, 2013. Framework Type STO (Material: SSZ-31 polymorph I)

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.