Synthesis
Mixture | 1.82 g SDA: 20.06 g Na-silicate : 0.62 g Al-sulfate : 1.52 g sulfuric acid : 10.08 g ethanol : 36.16 g water |
SDA | 4,4'-Bipyridinium |
Temperature | 135.00 °C |
Duration | 3 d |
Conditions | rotated |
Reference |
Zanardi, Alberti, Cruciani, Corma, Fornés & Brunelli (2004): Angewandte Chemie, Volume 43, Issue 37, Pages 4933-4937. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | |
Chemical composition per unit cell | [C10H10N2]4 [Si24O52] |
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 | P2(1)/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 |
Zanardi, Alberti, Cruciani, Corma, Fornés & Brunelli (2004): Angewandte Chemie, Volume 43, Issue 37, Pages 4933-4937. |
Properties
Density (calculated) | 1.903 g/cm3 |
Condensation product | NU-6(2) (zeolite framework type: NSI) |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 0 | 1 | 2 | 6.524 | 0.1 | 13.537 |
2 | 0 | 0 | 2 | 6.558 | 100.0 | 13.468 |
-2 | 0 | 1 | 2 | 8.080 | 0.0 | 10.933 |
2 | 0 | 1 | 2 | 10.298 | 0.0 | 8.583 |
0 | 0 | 2 | 2 | 13.070 | 2.4 | 6.768 |
4 | 0 | 0 | 2 | 13.137 | 4.8 | 6.734 |
-2 | 0 | 2 | 2 | 13.161 | 0.2 | 6.722 |
-4 | 0 | 1 | 2 | 13.211 | 0.0 | 6.696 |
2 | 0 | 2 | 2 | 15.977 | 2.9 | 5.543 |
4 | 0 | 1 | 2 | 16.018 | 0.4 | 5.529 |
-4 | 0 | 2 | 2 | 16.201 | 6.9 | 5.466 |
1 | 1 | 0 | 4 | 18.125 | 0.1 | 4.890 |
0 | 1 | 1 | 4 | 18.996 | 0.1 | 4.668 |
2 | 1 | 0 | 4 | 19.008 | 0.0 | 4.665 |
-1 | 1 | 1 | 4 | 19.012 | 1.3 | 4.664 |
. | . | . | . | . | . | |
-2 | 0 | 3 | 2 | 19.188 | 0.1 | 4.622 |
-6 | 0 | 1 | 2 | 19.281 | 0.1 | 4.600 |
1 | 1 | 1 | 4 | 19.548 | 0.1 | 4.537 |
-2 | 1 | 1 | 4 | 19.595 | 3.0 | 4.527 |
0 | 0 | 3 | 2 | 19.659 | 0.0 | 4.512 |
6 | 0 | 0 | 2 | 19.760 | 7.9 | 4.489 |
3 | 1 | 0 | 4 | 20.398 | 0.0 | 4.350 |
2 | 1 | 1 | 4 | 20.625 | 1.3 | 4.303 |
4 | 0 | 2 | 2 | 20.681 | 30.7 | 4.291 |
-3 | 1 | 1 | 4 | 20.698 | 10.1 | 4.288 |
-4 | 0 | 3 | 2 | 20.919 | 0.2 | 4.243 |
-6 | 0 | 2 | 2 | 20.972 | 5.4 | 4.233 |
-1 | 1 | 2 | 4 | 21.941 | 0.0 | 4.048 |
3 | 1 | 1 | 4 | 22.152 | 0.0 | 4.010 |
0 | 1 | 2 | 4 | 22.163 | 0.2 | 4.008 |
2 | 0 | 3 | 2 | 22.196 | 0.1 | 4.002 |
4 | 1 | 0 | 4 | 22.204 | 0.4 | 4.000 |
-2 | 1 | 2 | 4 | 22.218 | 0.3 | 3.998 |
-4 | 1 | 1 | 4 | 22.248 | 48.2 | 3.993 |
6 | 0 | 1 | 2 | 22.276 | 0.4 | 3.988 |
1 | 1 | 2 | 4 | 22.871 | 0.0 | 3.885 |
-3 | 1 | 2 | 4 | 22.977 | 0.0 | 3.868 |
2 | 1 | 2 | 4 | 24.022 | 0.0 | 3.702 |
4 | 1 | 1 | 4 | 24.050 | 1.8 | 3.697 |
-5 | 1 | 1 | 4 | 24.164 | 14.3 | 3.680 |
-4 | 1 | 2 | 4 | 24.174 | 0.0 | 3.679 |
5 | 1 | 0 | 4 | 24.339 | 0.0 | 3.654 |
-6 | 0 | 3 | 2 | 24.405 | 0.0 | 3.644 |
-2 | 0 | 4 | 2 | 25.551 | 10.4 | 3.483 |
3 | 1 | 2 | 4 | 25.562 | 0.0 | 3.482 |
-8 | 0 | 1 | 2 | 25.683 | 0.1 | 3.466 |
-5 | 1 | 2 | 4 | 25.753 | 0.1 | 3.457 |
4 | 0 | 3 | 2 | 26.233 | 0.0 | 3.394 |
5 | 1 | 1 | 4 | 26.243 | 0.2 | 3.393 |
-1 | 1 | 3 | 4 | 26.268 | 2.3 | 3.390 |
6 | 0 | 2 | 2 | 26.276 | 7.4 | 3.389 |
-2 | 1 | 3 | 4 | 26.304 | 10.4 | 3.385 |
0 | 0 | 4 | 2 | 26.314 | 12.8 | 3.384 |
-6 | 1 | 1 | 4 | 26.372 | 2.0 | 3.377 |
8 | 0 | 0 | 2 | 26.450 | 3.0 | 3.367 |
-4 | 0 | 4 | 2 | 26.500 | 0.3 | 3.361 |
-8 | 0 | 2 | 2 | 26.602 | 0.0 | 3.348 |
0 | 1 | 3 | 4 | 26.654 | 3.3 | 3.342 |
6 | 1 | 0 | 4 | 26.730 | 0.1 | 3.332 |
-3 | 1 | 3 | 4 | 26.758 | 18.1 | 3.329 |
4 | 1 | 2 | 4 | 27.429 | 0.0 | 3.249 |
1 | 1 | 3 | 4 | 27.444 | 0.1 | 3.247 |
-4 | 1 | 3 | 4 | 27.612 | 0.2 | 3.228 |
-6 | 1 | 2 | 4 | 27.653 | 0.0 | 3.223 |
2 | 1 | 3 | 4 | 28.608 | 0.2 | 3.118 |
2 | 0 | 4 | 2 | 28.661 | 1.6 | 3.112 |
6 | 1 | 1 | 4 | 28.671 | 3.1 | 3.111 |
8 | 0 | 1 | 2 | 28.779 | 0.2 | 3.100 |
-7 | 1 | 1 | 4 | 28.811 | 0.7 | 3.096 |
-5 | 1 | 3 | 4 | 28.834 | 0.2 | 3.094 |
-6 | 0 | 4 | 2 | 29.004 | 3.7 | 3.076 |
-8 | 0 | 3 | 2 | 29.059 | 0.0 | 3.070 |
7 | 1 | 0 | 4 | 29.323 | 0.1 | 3.043 |
5 | 1 | 2 | 4 | 29.568 | 0.0 | 3.019 |
-7 | 1 | 2 | 4 | 29.819 | 0.2 | 2.994 |
3 | 1 | 3 | 4 | 30.106 | 1.0 | 2.966 |
-6 | 1 | 3 | 4 | 30.383 | 0.2 | 2.940 |
6 | 0 | 3 | 2 | 31.238 | 0.0 | 2.861 |
7 | 1 | 1 | 4 | 31.287 | 0.2 | 2.857 |
-2 | 1 | 4 | 4 | 31.327 | 0.0 | 2.853 |
-8 | 1 | 1 | 4 | 31.436 | 0.2 | 2.843 |
-1 | 1 | 4 | 4 | 31.467 | 0.0 | 2.841 |
-3 | 1 | 4 | 4 | 31.546 | 0.1 | 2.834 |
4 | 1 | 3 | 4 | 31.895 | 1.2 | 2.804 |
6 | 1 | 2 | 4 | 31.931 | 0.0 | 2.801 |
0 | 1 | 4 | 4 | 31.962 | 0.0 | 2.798 |
8 | 1 | 0 | 4 | 32.077 | 0.0 | 2.788 |
-2 | 0 | 5 | 2 | 32.113 | 0.0 | 2.785 |
-4 | 1 | 4 | 4 | 32.119 | 0.0 | 2.785 |
-8 | 1 | 2 | 4 | 32.204 | 0.0 | 2.777 |
-7 | 1 | 3 | 4 | 32.217 | 0.0 | 2.776 |
4 | 0 | 4 | 2 | 32.276 | 0.9 | 2.771 |
-10 | 0 | 1 | 2 | 32.284 | 0.1 | 2.771 |
8 | 0 | 2 | 2 | 32.361 | 0.3 | 2.764 |
-4 | 0 | 5 | 2 | 32.560 | 0.1 | 2.748 |
-10 | 0 | 2 | 2 | 32.708 | 0.8 | 2.736 |
-8 | 0 | 4 | 2 | 32.738 | 0.9 | 2.733 |
1 | 1 | 4 | 4 | 32.799 | 0.0 | 2.728 |
-5 | 1 | 4 | 4 | 33.027 | 0.2 | 2.710 |
0 | 0 | 5 | 2 | 33.061 | 0.0 | 2.707 |
10 | 0 | 0 | 2 | 33.234 | 0.3 | 2.694 |
5 | 1 | 3 | 4 | 33.936 | 0.0 | 2.639 |
2 | 1 | 4 | 4 | 33.953 | 0.0 | 2.638 |
8 | 1 | 1 | 4 | 34.055 | 0.1 | 2.631 |
-9 | 1 | 1 | 4 | 34.212 | 2.5 | 2.619 |
-6 | 1 | 4 | 4 | 34.249 | 0.0 | 2.616 |
-8 | 1 | 3 | 4 | 34.296 | 1.1 | 2.613 |
-6 | 0 | 5 | 2 | 34.354 | 0.1 | 2.608 |
-10 | 0 | 3 | 2 | 34.461 | 0.0 | 2.600 |
7 | 1 | 2 | 4 | 34.479 | 0.0 | 2.599 |
-9 | 1 | 2 | 4 | 34.771 | 0.4 | 2.578 |
9 | 1 | 0 | 4 | 34.962 | 0.1 | 2.564 |
2 | 0 | 5 | 2 | 35.304 | 0.0 | 2.540 |
3 | 1 | 4 | 4 | 35.399 | 0.0 | 2.534 |
10 | 0 | 1 | 2 | 35.461 | 0.0 | 2.529 |
-7 | 1 | 4 | 4 | 35.756 | 0.1 | 2.509 |
0 | 2 | 0 | 2 | 36.093 | 0.8 | 2.487 |
6 | 1 | 3 | 4 | 36.193 | 0.3 | 2.480 |
1 | 2 | 0 | 4 | 36.251 | 7.4 | 2.476 |
-9 | 1 | 3 | 4 | 36.586 | 0.4 | 2.454 |
0 | 2 | 1 | 4 | 36.718 | 0.0 | 2.446 |
2 | 2 | 0 | 4 | 36.724 | 0.7 | 2.445 |
-1 | 2 | 1 | 4 | 36.727 | 0.0 | 2.445 |
6 | 0 | 4 | 2 | 36.831 | 0.0 | 2.438 |
8 | 0 | 3 | 2 | 36.875 | 0.0 | 2.436 |
9 | 1 | 1 | 4 | 36.951 | 0.5 | 2.431 |
-2 | 1 | 5 | 4 | 36.963 | 0.3 | 2.430 |
-3 | 1 | 5 | 4 | 37.006 | 0.8 | 2.427 |
1 | 2 | 1 | 4 | 37.022 | 0.0 | 2.426 |
-2 | 2 | 1 | 4 | 37.047 | 0.0 | 2.425 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.3089 | -0.1437 | 0.3060 | - | 1.000 | |
Si2 | 0.1525 | 0.3814 | 0.2730 | - | 1.000 | |
Si3 | 0.2803 | 0.2893 | 0.0095 | - | 1.000 | |
Si4 | 0.3027 | 0.3794 | -0.1987 | - | 1.000 | |
Si5 | 0.3555 | 0.3570 | 0.2238 | - | 1.000 | |
Si6 | 0.2139 | 0.3032 | 0.4911 | - | 1.000 | |
O1 | 0.3254 | 0.3450 | 0.1072 | - | 1.000 | |
O2 | 0.3436 | 0.6516 | 0.2633 | - | 1.000 | |
O3 | 0.1754 | 0.3870 | 0.3907 | - | 1.000 | |
O4 | 0.2370 | 0.0015 | 0.4719 | - | 1.000 | |
O5 | 0.3011 | 0.4176 | -0.0806 | - | 1.000 | |
O6 | 0.0924 | 0.3220 | 0.2540 | - | 1.000 | |
O7 | 0.1573 | 0.6750 | 0.2223 | - | 1.000 | |
O8 | 0.2709 | -0.0369 | -0.0093 | - | 1.000 | |
O9 | 0.3259 | 0.1502 | 0.2789 | - | 1.000 | |
O10 | 0.3195 | -0.1930 | 0.4263 | - | 1.000 | |
O11 | 0.1842 | 0.1811 | 0.2278 | - | 1.000 | |
O12 | 0.2503 | -0.1730 | 0.2733 | - | 1.000 | |
O13 | 0.4146 | 0.3070 | 0.2437 | - | 1.000 | |
N1 | 0.5628 | 0.5430 | 0.3870 | - | 1.000 | |
C1 | 0.4876 | 0.7330 | 0.3900 | - | 1.000 | |
C2 | 0.5076 | 0.9190 | 0.4650 | - | 1.000 | |
C3 | 0.5899 | 0.6930 | 0.4668 | - | 1.000 | |
C4 | 0.5119 | 0.5470 | 0.3421 | - | 1.000 | |
N2 | 0.5516 | 0.0330 | 0.8662 | - | 1.000 | |
C5 | 0.4824 | 0.2530 | 0.9027 | - | 1.000 | |
C6 | 0.5130 | 0.4140 | 0.9750 | - | 1.000 | |
C7 | 0.5843 | 0.1510 | 0.9474 | - | 1.000 | |
C8 | 0.5001 | 0.0690 | 0.8426 | - | 1.000 | |
C9 | 0.5588 | 0.8770 | 0.4990 | - | 1.000 | |
C10 | 0.5641 | 0.3630 | -0.0090 | - | 1.000 |
User Cell Range (natural numbers 1-5):
No data available