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. |
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Unit | d4r | ![]() |
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Examples |
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* 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). |
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: |
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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 | |