ZEOMICS - Zeolite Pore Characterization Web Tool

View Structure: ZSM-5, Calcined (MFI)

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Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
28864 922074164
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 
10 41  15 34  0.27249
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
0.2310.204  1145932
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
7.55.6
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
14 19.8820.1113.37  90.090.790.0
International Tables for Crystallography A (2006).
Coordination sequences.
T-atom NameCoordination Sequence (to Shell 10)
T141222416188125159198250
T241222396491117158209247
T341223376291120157206250
T441221366190122159196251
T541224386393123157206247
T641222406188124156197253
T741224385690132164193241
T841221376390121155201253
T941123396293119153204254
T1041122366193120154200255
T1141222385992125159202250
T1241223385989126161196246
T1341222416188125159198250
T1441222396491117158209247
T1541223376291120157206250
T1641221366190122159196251
T1741224386393123157206247
T1841222406188124156197253
T1941224385690132164193241
T2041221376390121155201253
T2141123396293119153204254
T2241122366193120154200255
T2341222385992125159202250
T2441223385989126161196246

Citation (as supplied by submitter): van Koningsveld, H., Jansen, J.C. and van Bekkum, H. Zeolites, 10, 235-242 (1990). 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 July 19, 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.