Synthesis
Mixture | 1 SiO2 : 0.3 NaOH: 40 H2O : 0.12 SDA |
SDA | Tetramethylene-bis(N-methyl-pyrrolidinium) dibromide |
Temperature | 160.00 °C |
Duration | 5 d |
Conditions | tumbling (50 rpm) |
Reference |
Burton, Accardi, Lobo, Falcioni & Deem (2000): Chemistry of Materials, Volume 12, Issue 10, Pages 2936-2942. |
Crystal Structure
Structurally nearly identical materials | |
Crystal chemically related materials | None |
Chemical composition per unit cell | [C14H28N2]2 [Si36O76] |
Lattice parameters of the 2D cell of the layer |
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Lattice parameters related to the stacking direction |
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Space group | Cmcm |
XRD reflections representing the 2D cell of the layer |
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XRD reflections representing the layer-layer distance |
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Reference |
Burton, Accardi, Lobo, Falcioni & Deem (2000): Chemistry of Materials, Volume 12, Issue 10, Pages 2936-2942. |
Properties
Density (calculated) | 1.911 g/cm3 |
Condensation product | disordered CDO type zeolite |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 2 | 0 | 2 | 7.868 | 100.0 | 11.227 |
0 | 2 | 1 | 4 | 10.086 | 0.8 | 8.763 |
1 | 1 | 0 | 4 | 12.606 | 3.2 | 7.016 |
0 | 0 | 2 | 2 | 12.619 | 5.7 | 7.009 |
1 | 1 | 1 | 8 | 14.104 | 7.2 | 6.274 |
0 | 2 | 2 | 4 | 14.888 | 0.1 | 5.945 |
0 | 4 | 0 | 2 | 15.774 | 0.2 | 5.614 |
1 | 3 | 0 | 4 | 16.851 | 5.8 | 5.257 |
0 | 4 | 1 | 4 | 17.001 | 5.0 | 5.211 |
1 | 1 | 2 | 8 | 17.874 | 4.0 | 4.959 |
1 | 3 | 1 | 8 | 18.006 | 2.2 | 4.922 |
0 | 4 | 2 | 4 | 20.251 | 13.1 | 4.381 |
0 | 2 | 3 | 4 | 20.572 | 1.5 | 4.314 |
1 | 3 | 2 | 8 | 21.108 | 8.9 | 4.206 |
1 | 1 | 3 | 8 | 22.848 | 4.8 | 3.889 |
. | . | . | . | . | . | |
1 | 5 | 0 | 4 | 23.161 | 4.6 | 3.837 |
0 | 6 | 0 | 2 | 23.757 | 2.9 | 3.742 |
1 | 5 | 1 | 8 | 24.026 | 4.7 | 3.701 |
2 | 0 | 0 | 2 | 24.079 | 0.9 | 3.693 |
0 | 6 | 1 | 4 | 24.601 | 3.8 | 3.616 |
0 | 4 | 3 | 4 | 24.771 | 9.0 | 3.591 |
2 | 2 | 0 | 4 | 25.369 | 17.4 | 3.508 |
0 | 0 | 4 | 2 | 25.395 | 13.8 | 3.505 |
1 | 3 | 3 | 8 | 25.483 | 1.3 | 3.493 |
2 | 2 | 1 | 8 | 26.165 | 10.2 | 3.403 |
1 | 5 | 2 | 8 | 26.460 | 8.8 | 3.366 |
0 | 2 | 4 | 4 | 26.625 | 5.5 | 3.345 |
0 | 6 | 2 | 4 | 26.987 | 2.1 | 3.301 |
2 | 0 | 2 | 4 | 27.274 | 0.0 | 3.267 |
2 | 2 | 2 | 8 | 28.428 | 1.6 | 3.137 |
1 | 1 | 4 | 8 | 28.446 | 0.2 | 3.135 |
2 | 4 | 0 | 4 | 28.916 | 2.7 | 3.085 |
2 | 4 | 1 | 8 | 29.624 | 2.8 | 3.013 |
0 | 4 | 4 | 4 | 30.036 | 0.3 | 2.973 |
1 | 5 | 3 | 8 | 30.112 | 0.5 | 2.965 |
1 | 7 | 0 | 4 | 30.355 | 0.1 | 2.942 |
0 | 6 | 3 | 4 | 30.581 | 1.5 | 2.921 |
1 | 3 | 4 | 8 | 30.634 | 0.1 | 2.916 |
1 | 7 | 1 | 8 | 31.033 | 1.1 | 2.879 |
2 | 4 | 2 | 8 | 31.661 | 0.5 | 2.824 |
0 | 8 | 0 | 2 | 31.858 | 0.0 | 2.807 |
2 | 2 | 3 | 8 | 31.873 | 1.5 | 2.805 |
0 | 8 | 1 | 4 | 32.508 | 0.3 | 2.752 |
0 | 2 | 5 | 4 | 32.902 | 0.0 | 2.720 |
1 | 7 | 2 | 8 | 32.991 | 0.3 | 2.713 |
2 | 6 | 0 | 4 | 34.081 | 0.0 | 2.629 |
0 | 8 | 2 | 4 | 34.391 | 0.0 | 2.606 |
1 | 1 | 5 | 8 | 34.420 | 1.4 | 2.603 |
1 | 5 | 4 | 8 | 34.636 | 0.0 | 2.588 |
2 | 6 | 1 | 8 | 34.693 | 0.8 | 2.584 |
2 | 4 | 3 | 8 | 34.818 | 0.1 | 2.575 |
0 | 6 | 4 | 4 | 35.051 | 0.1 | 2.558 |
2 | 0 | 4 | 4 | 35.278 | 0.6 | 2.542 |
0 | 4 | 5 | 4 | 35.771 | 1.2 | 2.508 |
1 | 7 | 3 | 8 | 36.045 | 0.3 | 2.490 |
2 | 2 | 4 | 8 | 36.202 | 0.8 | 2.479 |
1 | 3 | 5 | 8 | 36.285 | 0.4 | 2.474 |
2 | 6 | 2 | 8 | 36.477 | 0.8 | 2.461 |
3 | 1 | 0 | 4 | 36.692 | 0.3 | 2.447 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.2091 | 0.2322 | 0.2500 | 0.39 | 1.000 | |
Si2 | 0.2971 | 0.1881 | 0.0460 | 0.39 | 1.000 | |
Si3 | 0.0000 | 0.1126 | 0.5475 | 0.39 | 1.000 | |
Si4 | 0.0000 | 0.1739 | 0.7500 | 0.39 | 1.000 | |
O1 | 0.2548 | 0.1920 | 0.1604 | 1.49 | 1.000 | |
O2 | 0.0000 | 0.2466 | 0.2500 | 1.49 | 1.000 | |
O3 | 0.3189 | 0.2910 | 0.2500 | 1.49 | 1.000 | |
O4 | 0.1822 | 0.1368 | 0.0001 | 1.49 | 1.000 | |
O5 | 0.5000 | 0.1688 | 0.0267 | 1.49 | 1.000 | |
O6 | 0.2500 | 0.2500 | 0.0000 | 1.49 | 1.000 | |
O7 | 0.0000 | 0.1324 | 0.6579 | 1.49 | 1.000 | |
O8 | 0.5000 | 0.4606 | 0.4514 | 1.49 | 1.000 | |
C1 | 0.7506 | 0.0352 | 0.2606 | 1.58 | 0.250 | |
C2 | 0.6278 | -0.0221 | 0.2648 | 1.58 | 0.250 | |
C3 | 0.5629 | -0.0892 | 0.2664 | 1.58 | 0.250 | |
C4 | 0.5241 | -0.0234 | 0.2937 | 1.58 | 0.250 | |
C5 | 0.5742 | 0.0380 | 0.3060 | 1.58 | 0.250 | |
C6 | 0.5279 | 0.0164 | 0.4225 | 1.58 | 0.250 | |
C7 | 0.5264 | -0.0084 | 0.4023 | 1.58 | 0.250 |
User Cell Range (natural numbers 1-5):