Database of Disordered Zeolite Structures
 
Intergrowth Family CIT-13
Periodic Building Unit
 
  Periodic Building Unit (PerBU): CFI layer  
 
  Layer symmetry P m m (2)  
 
  Comment To facilitate understanding of the connectivity patterns shown below, O atoms that connect to a single row of d4r units have been highlighted in the CFI layer shown to the right.
 
 
Connector
  Unit d4r  
 
  References

    Kang, J.H., Xie, D., Zones, S.I., Smeets, S., McCusker, L.B. and Davis, M.E.
   "Synthesis and characterization of CIT-13, a germanosilicate molecular sieve with extra-large pore openings"
   Chem. Mater., 28, 6250-6259 (2016)

Connectivity pattern
Examples


 
Symmetry
Operation*
Translation* Comment Image
0
  d4r units in position 1
1/2a
  d4r units in position 2
0a + 1/2b
  
1/2a +1/2b
  
 

* relative to the previous layer of connectors

Positions of d4r unit connectors in a row
There are two possible positions for a row of d4r units above the CFI layer. The position of the first d4r unit (along a) determines the positions of all the other d4r units in that row.

Disorder along b: arrangements of the rows of d4r unit connectors
The arrangement of the rows of d4r units is not necessarily periodic along b. Each row can be the same as the neighboring one or shifted by 1/2a.
Effect on channel system
  The disorder does not block the channel system. However, the 10-ring channel becomes sinusoidal when both d4r positions are present in a single layer of d4r units (i.e. it is no longer straight as in polymorph A or B below).
Simplest ordered end members
The color of the connectors between the layers reflects those shown in the tables above.

 
  Polymorph CIT-13_A
 
Cell Parameters: orthorhombic C m m m: (# 65)
  a = 27.2188 Å b = 13.9547 Å c = 10.5278 Å  
  α = 90.0000° β = 90.0000° γ = 90.0000°  
  Volume = 3998.8 Å3
Framework Density (FDSi): 16.0
Ring sizes (# T-atoms): 14  10  6  5  4    
Channel dimensionality: Topological (pore opening > 6-ring): 2-dimensional  
  Maximum diameter of a sphere:  
    that can be included 8.29 Å  
    that can diffuse along a:  2.38 Å b:  4.28 Å c:  7.5 Å  
    [0 0 1] :  7.5 Å
    addional volume data  
Composite Building Units:
d4r
mtt
cas
non
ton
In this space group and setting, the ordered connecting rows are along [001] and the layers are stacked along [100]

Note: This polymorph has NOT been observed as a pure ordered material
 
 
  Polymorph CIT-13_B
 
Cell Parameters: orthohombic I m m m: (# 71)
  a = 27.0454 Å b = 13.6820 Å c = 10.2908 Å  
  α = 90.0000° β = 90.0000° γ = 90.0000°  
  Volume = 3808.0 Å3
Framework Density (FDSi): 16.8
Ring sizes (# T-atoms): 14  10  6  5  4    
Channel dimensionality: Topological (pore opening > 6-ring): 2-dimensional  
  Maximum diameter of a sphere:  
    that can be included 8.28 Å  
    that can diffuse along a:  2.04 Å b:  3.83 Å c:  7.24 Å  
    [0 0 1] :  7.24 Å
    addional volume data  
Composite Building Units:
d4r
mtt
cas
non
ton
In this space group and setting, the ordered connecting rows are along [001] and the layers are stacked along [100]

Note: This polymorph has NOT been observed as a pure ordered material
 
 
  Polymorph CIT-13_C
 
Cell Parameters: orthorhombic C m c m: (# 63)
  a = 10.4578 Å b = 27.7606 Å c = 27.2022 Å  
  α = 90.0000° β = 90.0000° γ = 90.0000°  
  Volume = 7897.3 Å3
Framework Density (FDSi): 16.2
Ring sizes (# T-atoms): 14  10  6  5  4    
Channel dimensionality: Topological (pore opening > 6-ring): 2-dimensional  
  Maximum diameter of a sphere:  
    that can be included 8.14 Å  
    that can diffuse along a:  7.45 Å b:  3.92 Å c:  2.22 Å  
    [1 0 0] :  7.45 Å
    addional volume data  
Composite Building Units:
d4r
mtt
cas
non
ton
In this space group and setting, the ordered connecting rows are along [100] and the layers are stacked along [001]

Note: This polymorph has NOT been observed as a pure ordered material