Database of Disordered Zeolite Structures
 
Intergrowth Family PST-34
1-dimensional stacking disorder with two periodic building units
SBS-SBT-FAU-EMT Intergrowths
Periodic Building Units
 
  Layer 2: FAU layer  
  Layer symmetry P (3) 2 m  
  2D cell parameters a = 17.22 Å b = 17.22 Å gamma = 120.0°    
 
 
 
 
  Layer 1: SBS layer  
  Layer symmetry P (-6) 2 m  
  2D cell parameters a = 17.29 Å b = 17.29 Å gamma = 120.0°    
 
 
 
 
  Comment: To facilitate understanding of the connectivity patterns shown below, the 6-rings that connect to the next layer have been highlighted in both layers.
The SBS layer corresponds to the can layer and the FAU layer to the sod layer used by the authors.
 
  References Zeng, J., Lee, H., Jo, D., Mayoral, A. and Hong, S.B.
"Coupling different periodic building units for intergrowth zeolites"
J. Am. Chem. Soc. , 146, 13651-13657 (2024)

Connectivity pattern

There are two different PerBU's (layers), but both connect to the next layer in the same way. The 6-rings in the adjacent layers connect to form a hexagonal pattern of d6r units. The attached 4-rings on either side of the d6r units are related either by a local inversion center (i) or a local mirror plane (m). The layers are stacked along the [001] direction using the following connectivity patterns

 
Type Comment Image
1
local Inversion center
2
local mirror plane

Connections from SBS layer

 
Type Layer 2 Comment Image
1
SBS
SBS connection
2
SBS
SBT connection
1
FAU
2
FAU

Connections from FAU layer

 
Type Layer 2 Comment Image
1
SBS
2
SBS
1
FAU
FAU connection
2
FAU
EMT connection
Simplest ordered end-members
The SBS layers are shown in blue (connection type 1) and green (connection type 2), and FAU layers in orange (connection type 1) and yellow (connection type 2). Adjacent layers generated by the same connectivity type (same basic color) are shown with different shades for clarity.

 
  Polymorph SBS
 
Cell Parameters: hexagonal P 63/m m c (# 194)
  a = 17.1930 Å b = 17.1930 Å c = 27.3330 Å  
  α = 90.000° β = 90.000° γ = 120.000°  
  Volume = 6997.3 Å3
Framework Density (FDSi): 13.7
Ring sizes (# T-atoms): 12  8  6  4    
Channel dimensionality: Topological (pore opening > 6-ring): 3-dimensional  
  Maximum diameter of a sphere:  
    that can be included 11.45 Å  
    that can diffuse along a:  7.27 Å b:  7.27 Å c:  5.72 Å  
    additional volume data  
Composite Building Units:
sti
d6r (t-hpr )
can (t-can )

Note: This polymorph corresponds to the ordered framework SBS
 
 
  Polymorph SBT
 
Cell Parameters: trigonal R -3 m (# 166)
  a = 17.1910 Å b = 17.1910 Å c = 41.0300 Å  
  α = 90.000° β = 90.000° γ = 120.000°  
  Volume = 10501.3 Å3
Framework Density (FDSi): 13.7
Ring sizes (# T-atoms): 12  8  6  4    
Channel dimensionality: Topological (pore opening > 6-ring): 3-dimensional  
  Maximum diameter of a sphere:  
    that can be included 11.17 Å  
    that can diffuse along a:  7.34 Å b:  7.34 Å c:  5.71 Å  
    additional volume data  
Composite Building Units:
sti
d6r (t-hpr )
can (t-can )

Note: This polymorph corresponds to the ordered framework SBT
 
 
  Polymorph FAU
 
Cell Parameters: cubic F d -3 m (# 227)
  a = 24.3450 Å b = 24.3450 Å c = 24.3450 Å  
  α = 90.000° β = 90.000° γ = 90.000°  
  Volume = 14428.8 Å3
Framework Density (FDSi): 13.3
Ring sizes (# T-atoms): 12  6  4    
Channel dimensionality: Topological (pore opening > 6-ring): 3-dimensional  
  Maximum diameter of a sphere:  
    that can be included 11.24 Å  
    that can diffuse along a:  7.35 Å b:  7.35 Å c:  7.35 Å  
    additional volume data  
Composite Building Units:
d6r (t-hpr )
sod (t-toc )

Note: This polymorph corresponds to the ordered framework FAU
 
 
  Polymorph EMT
 
Cell Parameters: hexagonal P 63/m m c (# 194)
  a = 17.2150 Å b = 17.2150 Å c = 28.0820 Å  
  α = 90.000° β = 90.000° γ = 120.000°  
  Volume = 7207.5 Å3
Framework Density (FDSi): 13.3
Ring sizes (# T-atoms): 12  6  4    
Channel dimensionality: Topological (pore opening > 6-ring): 3-dimensional  
  Maximum diameter of a sphere:  
    that can be included 11.55 Å  
    that can diffuse along a:  6.54 Å b:  6.54 Å c:  7.37 Å  
    additional volume data  
Composite Building Units:
d6r (t-hpr )
sod (t-toc )

Note: This polymorph corresponds to the ordered framework EMT
 
 
  Polymorph PST-34_5
 
Cell Parameters: rhomboheadral (hexagonal setting) R-3m (# )
  a = 17.1003 Å b = 17.1003 Å c = 83.0396 Å  
  α = 90.0000° β = 90.0000° γ = 120.0000°  
  Volume = 0.0 Å3
Framework Density (FDSi): 0.0
Ring sizes (# T-atoms):  
Channel dimensionality: Topological (pore opening > 6-ring): 0-dimensional  
Composite Building Units:
sti
d6r (t-hpr )
can (t-can )
sod (t-toc )
This polymorph corresponds to polymorph 5 (FSC) in the original paper
Note: This polymorph has NOT been observed as a pure ordered material
 
 
  Polymorph PST-34_6
 
Cell Parameters: trigonal P-3m1 (# )
  a = 17.1004 Å b = 17.1004 Å c = 27.6673 Å  
  α = 90.0000° β = 90.0000° γ = 120.0000°  
  Volume = 0.0 Å3
Framework Density (FDSi): 0.0
Ring sizes (# T-atoms):  
Channel dimensionality: Topological (pore opening > 6-ring): 0-dimensional  
Composite Building Units:
sti
d6r (t-hpr )
can (t-can )
sod (t-toc )
This polymorph corresponds to polymorph 6 (SSC) in the original paper
Note: This polymorph has NOT been observed as a pure ordered material
 

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