ZEOMICS - Zeolite Pore Characterization Web Tool

View Structure: DFO (DAF-1)

Display using: Java (faster performance) | HTML5 (wider compatibility)

Number of topological features per unit cell.
AtomsPortalsChannelsCages JunctionsConnections
396285 1212692260
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 
8 14 10  8 8 52  0.40460
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
0.3730.3420.150  1951992354
Pore characterization quantities.
Largest Cavity
Diameter (Å)
Pore Limiting
Diameter (Å)
11.97.8
Unit cell parameters.
Space
Group
  Cell Lengths (Å) Cell Angles (deg.)
 abc αβγ
191 22.0022.0021.16  90.090.0120.0
International Tables for Crystallography A (2006).
Coordination sequences.
T-atom NameCoordination Sequence (to Shell 10)
T1491626416082107135167
T24101827426284109135167
T34101828456584106134173
T4491729456382106136168
T5491729446285112139169
T64101828456689115141171

Citation: Baerlocher, C. and McCusker, L. Database of Zeolite Structures. http://www.iza-structure.org/databases/, 2013. Accessed on April 23, 2013. Framework Type DFO (Material: DAF-1)

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.