Synthesis
Mixture | 1 SiO2 : 0.5 SDA : 10 H2O |
SDA | Diethyldimethylammonium hydroxide |
Temperature | 140.00 °C |
Duration | 7 d |
Conditions | static |
Reference |
Feyen, Müller, Bao, Zhang, De Vos, Gies, Xiao, Yokoi, Kolb, Marler, Wang, De Baerdemaeker, Shi, Pan, Meng & Grünewald-Lüke (2021): U.S. Patent application, Volume None, Issue US-20210101800-A1, Pages . |
Crystal Structure
Comment | The powder pattern contains a weak peak of an impurity phase at 5.75° |
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | (C6H16N)8 [Si32O64(OH)8] ∙ 32 H2O |
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 | C2/m |
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 |
Marler, Grünewald-Lüke, Gies & De Baerdemaeker (2024): Zeitschrift für Kristallographie - New Crystal Structures, Volume None, Issue aop, Pages . |
Properties
Density (calculated) | 1.599 g/cm3 |
Condensation product | amorphous |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 0 | 1 | 2 | 5.303 | 100.0 | 16.651 |
1 | 1 | 0 | 4 | 8.622 | 7.9 | 10.248 |
-1 | 1 | 1 | 4 | 9.798 | 13.8 | 9.020 |
1 | 1 | 1 | 4 | 10.446 | 1.6 | 8.462 |
0 | 0 | 2 | 2 | 10.617 | 0.0 | 8.326 |
2 | 0 | 0 | 2 | 10.969 | 1.7 | 8.060 |
-2 | 0 | 1 | 2 | 11.639 | 0.0 | 7.597 |
2 | 0 | 1 | 2 | 12.718 | 1.3 | 6.955 |
-1 | 1 | 2 | 4 | 13.203 | 1.3 | 6.700 |
0 | 2 | 0 | 2 | 13.327 | 0.2 | 6.638 |
1 | 1 | 2 | 4 | 14.165 | 2.3 | 6.247 |
0 | 2 | 1 | 4 | 14.353 | 3.0 | 6.166 |
-2 | 0 | 2 | 2 | 14.400 | 1.0 | 6.146 |
0 | 0 | 3 | 2 | 15.955 | 6.2 | 5.550 |
2 | 0 | 2 | 2 | 16.129 | 0.0 | 5.491 |
. | . | . | . | . | . | |
0 | 2 | 2 | 4 | 17.070 | 1.8 | 5.190 |
2 | 2 | 0 | 4 | 17.293 | 8.3 | 5.124 |
-1 | 1 | 3 | 4 | 17.606 | 0.1 | 5.033 |
-2 | 2 | 1 | 4 | 17.729 | 0.0 | 4.999 |
3 | 1 | 0 | 4 | 17.794 | 4.5 | 4.981 |
-3 | 1 | 1 | 4 | 18.036 | 0.7 | 4.914 |
-2 | 0 | 3 | 2 | 18.347 | 0.7 | 4.832 |
2 | 2 | 1 | 4 | 18.462 | 1.7 | 4.802 |
1 | 1 | 3 | 4 | 18.702 | 4.7 | 4.741 |
3 | 1 | 1 | 4 | 19.108 | 0.2 | 4.641 |
-2 | 2 | 2 | 4 | 19.669 | 0.0 | 4.510 |
-3 | 1 | 2 | 4 | 19.780 | 0.0 | 4.485 |
2 | 0 | 3 | 2 | 20.405 | 0.0 | 4.349 |
1 | 3 | 0 | 4 | 20.798 | 6.0 | 4.268 |
0 | 2 | 3 | 4 | 20.845 | 0.2 | 4.258 |
2 | 2 | 2 | 4 | 20.980 | 4.7 | 4.231 |
-1 | 3 | 1 | 4 | 21.322 | 3.9 | 4.164 |
0 | 0 | 4 | 2 | 21.327 | 4.7 | 4.163 |
1 | 3 | 1 | 4 | 21.633 | 0.5 | 4.105 |
3 | 1 | 2 | 4 | 21.707 | 3.8 | 4.091 |
4 | 0 | 0 | 2 | 22.040 | 3.7 | 4.030 |
-4 | 0 | 1 | 2 | 22.087 | 4.5 | 4.021 |
-1 | 1 | 4 | 4 | 22.453 | 2.3 | 3.957 |
-3 | 1 | 3 | 4 | 22.694 | 5.9 | 3.915 |
-2 | 2 | 3 | 4 | 22.745 | 0.0 | 3.906 |
-2 | 0 | 4 | 2 | 22.899 | 1.0 | 3.881 |
-1 | 3 | 2 | 4 | 23.117 | 5.2 | 3.844 |
4 | 0 | 1 | 2 | 23.267 | 1.3 | 3.820 |
-4 | 0 | 2 | 2 | 23.401 | 3.1 | 3.798 |
1 | 1 | 4 | 4 | 23.616 | 1.9 | 3.764 |
1 | 3 | 2 | 4 | 23.690 | 1.7 | 3.753 |
2 | 2 | 3 | 4 | 24.450 | 0.4 | 3.638 |
2 | 0 | 4 | 2 | 25.135 | 1.2 | 3.540 |
3 | 1 | 3 | 4 | 25.216 | 2.7 | 3.529 |
0 | 2 | 4 | 4 | 25.232 | 0.6 | 3.527 |
4 | 0 | 2 | 2 | 25.596 | 0.3 | 3.477 |
-4 | 0 | 3 | 2 | 25.800 | 0.2 | 3.450 |
4 | 2 | 0 | 4 | 25.843 | 0.0 | 3.445 |
-4 | 2 | 1 | 4 | 25.883 | 0.0 | 3.439 |
-1 | 3 | 3 | 4 | 25.934 | 1.0 | 3.433 |
3 | 3 | 0 | 4 | 26.065 | 0.9 | 3.416 |
-3 | 3 | 1 | 4 | 26.234 | 0.3 | 3.394 |
-3 | 1 | 4 | 4 | 26.415 | 0.1 | 3.371 |
-2 | 2 | 4 | 4 | 26.586 | 0.0 | 3.350 |
1 | 3 | 3 | 4 | 26.704 | 0.0 | 3.336 |
0 | 0 | 5 | 2 | 26.747 | 0.5 | 3.330 |
0 | 4 | 0 | 2 | 26.839 | 2.6 | 3.319 |
4 | 2 | 1 | 4 | 26.907 | 0.0 | 3.311 |
3 | 3 | 1 | 4 | 26.996 | 0.2 | 3.300 |
-4 | 2 | 2 | 4 | 27.024 | 0.6 | 3.297 |
0 | 4 | 1 | 4 | 27.378 | 1.1 | 3.255 |
-3 | 3 | 2 | 4 | 27.484 | 0.0 | 3.243 |
-1 | 1 | 5 | 4 | 27.543 | 0.0 | 3.236 |
-2 | 0 | 5 | 2 | 27.790 | 0.0 | 3.208 |
-5 | 1 | 1 | 4 | 28.385 | 0.9 | 3.142 |
5 | 1 | 0 | 4 | 28.468 | 0.5 | 3.133 |
2 | 2 | 4 | 4 | 28.553 | 0.3 | 3.124 |
1 | 1 | 5 | 4 | 28.749 | 1.3 | 3.103 |
4 | 0 | 3 | 2 | 28.778 | 0.0 | 3.100 |
3 | 3 | 2 | 4 | 28.929 | 1.4 | 3.084 |
0 | 4 | 2 | 4 | 28.937 | 2.6 | 3.083 |
4 | 2 | 2 | 4 | 28.963 | 0.0 | 3.080 |
-4 | 0 | 4 | 2 | 29.034 | 0.4 | 3.073 |
2 | 4 | 0 | 4 | 29.072 | 0.2 | 3.069 |
-4 | 2 | 3 | 4 | 29.145 | 1.3 | 3.062 |
-5 | 1 | 2 | 4 | 29.321 | 0.2 | 3.044 |
3 | 1 | 4 | 4 | 29.335 | 4.8 | 3.042 |
-2 | 4 | 1 | 4 | 29.342 | 0.7 | 3.041 |
-1 | 3 | 4 | 4 | 29.503 | 1.4 | 3.025 |
5 | 1 | 1 | 4 | 29.560 | 1.5 | 3.020 |
-3 | 3 | 3 | 4 | 29.690 | 1.1 | 3.007 |
2 | 4 | 1 | 4 | 29.803 | 0.3 | 2.995 |
0 | 2 | 5 | 4 | 29.995 | 0.2 | 2.977 |
2 | 0 | 5 | 2 | 30.140 | 0.7 | 2.963 |
1 | 3 | 4 | 4 | 30.415 | 0.4 | 2.937 |
-2 | 4 | 2 | 4 | 30.587 | 0.0 | 2.920 |
-3 | 1 | 5 | 4 | 30.677 | 0.7 | 2.912 |
-2 | 2 | 5 | 4 | 30.938 | 1.1 | 2.888 |
-5 | 1 | 3 | 4 | 31.190 | 3.3 | 2.865 |
0 | 4 | 3 | 4 | 31.378 | 3.4 | 2.849 |
2 | 4 | 2 | 4 | 31.470 | 1.0 | 2.840 |
5 | 1 | 2 | 4 | 31.566 | 0.2 | 2.832 |
3 | 3 | 3 | 4 | 31.697 | 0.0 | 2.821 |
4 | 2 | 3 | 4 | 31.836 | 0.0 | 2.809 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | -0.0848 | 0.7313 | 0.0322 | 1.28 | 1.000 | |
Si2 | 0.8537 | 0.8814 | 0.1592 | 1.28 | 1.000 | |
Si3 | 0.4920 | 0.8827 | 0.1872 | 1.28 | 1.000 | |
Si4 | 0.1630 | 0.6159 | 0.1206 | 1.28 | 1.000 | |
O1 | -0.1270 | 0.8248 | 0.0763 | 1.66 | 1.000 | |
O2 | -0.0602 | 0.6489 | 0.1025 | 1.66 | 1.000 | |
OH3 | 0.9106 | 0.8530 | 0.2419 | 1.66 | 1.000 | |
O4 | 0.8708 | 0.0000 | 0.1449 | 1.66 | 1.000 | |
O5 | 0.0000 | 0.7743 | 0.0000 | 1.66 | 1.000 | |
OH6 | 0.4697 | 0.8107 | 0.2598 | 1.66 | 1.000 | |
O10 | 0.3556 | 0.8127 | -0.0425 | 1.66 | 1.000 | |
O12 | 0.2544 | 0.6365 | 0.1672 | 1.66 | 1.000 | |
O13 | 0.9689 | 0.5000 | 0.2023 | 1.66 | 1.000 | |
O15 | 1.0909 | 0.6330 | 0.1782 | 1.66 | 1.000 | |
O16 | 0.3453 | 0.0000 | -0.0918 | 1.66 | 1.000 | |
N1 | 0.1769 | 0.0000 | 0.1364 | 32.50 | 1.000 | |
C1 | 0.2189 | 0.9090 | 0.1758 | 32.50 | 1.333 | |
C3 | 0.0837 | 0.0000 | 0.1243 | 32.50 | 1.500 | |
C4 | 0.2335 | 0.1119 | 0.2668 | 32.50 | 1.500 | |
N2 | 0.2418 | 0.5000 | 0.4157 | 32.50 | 1.000 | |
C5 | 0.1509 | 0.5000 | 0.3899 | 32.50 | 1.500 | |
C6 | 0.2669 | 0.5000 | 0.5045 | 32.50 | 1.500 | |
C7 | 0.2874 | 0.5873 | 0.3851 | 32.50 | 1.333 | |
C8 | 0.3201 | 0.6596 | 0.4549 | 32.50 | 1.500 | |
OW1 | 0.4985 | 0.5000 | 0.6430 | 7.74 | 1.250 | |
OW2 | -0.0780 | 0.7807 | 0.6470 | 7.74 | 1.250 | |
OW3 | 0.5000 | 0.7838 | 0.5000 | 7.74 | 1.250 | |
OW4 | 0.0803 | 0.5964 | 0.6004 | 7.74 | 1.250 |
User Cell Range (natural numbers 1-5):