1-dimensional stacking disorder
Periodic Building Unit
Periodic Building Unit (PerBU):
HPM-14 layer
Layer symmetry
P m m (2)
2D cell parameters
a = 10.27 Å
b = 23.10 Å
gamma = 90°
References
Gao, Z.R., Li, J., Lin, C., Mayoral, A., Sun, J., and Camblor, M.A. "HPM-14: A New Germanosilicate Zeolite with Interconnected Extra-Large Pores Plus Odd-Membered and Small Pores" Angew. Chem. Int. Ed. , 60 , 3438–3442 (2021)
Examples
The layers are stacked along the [001] direction using the following connectivity patterns
-1/4 a + 1/2 b
Show this layer
+1/4 a + 1/2 b
Show this layer
* relative to the previous layer
In both cases, adjacent layers are related to one another by Inversion centers ( i ). The position of i determines which layer is generated.
Effect on channel system
The disorder does not block the channel system
Polymorph HPM-14_A
Cell Parameters:
monoclinic
C 1 2/m 1: (# 12)
a = 22.8476 Å
b = 23.0970 Å
c = 10.2660 Å
α = 90.0000°
β = 102.9200°
γ = 90.0000°
Volume = 5280.3 Å3
Framework Density (FDSi ):
15.2
Ring sizes (# T-atoms):
16 9 8 5 4
Channel dimensionality:
Topological (pore opening > 6-ring): 3-dimensional
Maximum diameter of a sphere:
that can be included
8.89 Å
that can diffuse along
a: 4.17 Å
b: 4.17 Å
c: 8.1 Å
[0 0 1] : 8.1 Å
addional volume data
Composite Building Units:
In this space group and setting, the PerBUs are stacked along [100]. Adjacent layers generated by the same connectivity pattern (same basic color) are shown with different shades for clarity.
Note: This polymorph has NOT been observed as a pure ordered material
Polymorph HPM-14_B
Cell Parameters:
orthorhombic
P b m n: (# 53)
a = 22.2657 Å
b = 23.0980 Å
c = 10.2695 Å
α = 90.0000°
β = 90.0000°
γ = 90.0000°
Volume = 5281.6 Å3
Framework Density (FDSi ):
15.1
Ring sizes (# T-atoms):
16 9 8 5 4
Channel dimensionality:
Topological (pore opening > 6-ring): 3-dimensional
Maximum diameter of a sphere:
that can be included
8.83 Å
that can diffuse along
a: 4.17 Å
b: 8.32 Å
c: 4.17 Å
[0 1 0] : 8.32 Å
addional volume data
Composite Building Units:
In this space group and setting, the PerBUs are stacked along [100]
Note: This polymorph has NOT been observed as a pure ordered material