Database of Disordered Zeolite Structures
 
  • IZA-SC
  • All Codes
  • Intergrowths

  • Framework Type RFE
    Volumes and areas calculated from the idealized framework model
    Occupiable Volume 160.1 Å3 (6.55 %)  
    Accessible Volume 160.1 Å3 (6.55 %)  
    Occupiable Area 211.07 Å2 (440.74 m2/g)  
    Accessible Area 211.07 Å2 (440.74 m2/g)  
    Specific Occupiable Area 864.16 m2/cm3    
    Specific Accessible Area 864.16 m2/cm3    
    Maximum diameter of a sphere:      
    that can be included 6.36 Å
    that can diffuse along a:   5.59 Å b:   2 Å c:   1.81 Å  


    Explanations
    Occupiable volume That portion of the available volume within the cell that can be visited by the center of a (spherical) water molecule (radius = 1.4Å). The available volume is the unit cell volume remaining after the van der Waals atomic sphere volumes are subtracted.
    Occupiable area The area of that surface visited by the center of the water molecule.
    Accessible volume That portion of the occupiable volume that has continuity between all unit unit cells. Some pores/cavities have windows that are too small to allow the water molecule access, and so represent isolated occupiable regions.
    Accessible area The area of that surface visited by the center of the water molecule.
    Specific occupiable area Occupiable area per unit volume
    Specific accessible area Accessible area per unit volume



     

    Credits:
    These values were calculated by Mike Treacy, Arizona State University, using his codes "TOTOPOL" and "DelaneysDonkey".
    see also:
    M. D. Foster, I. Rivin, M. M. J. Treacy and O. Delgado Friedrichs,
    A geometric solution to the Largest-Free-Sphere problem in zeolite frameworks,
    Microporous and Mesoporous Materials, 90 32-38 (2006).