Synthesis
Mixture | 1.0 SDA : 0.8 SiO2 : 0.2 LiOH : 0.2 H3BO3 : 55.6 H2O |
SDA | 4-aminomethyl-piperidine |
Temperature | 180.00 °C |
Duration | 49 d |
Conditions | static |
Reference |
Marler, Krysiak, Kolb, Grafweg & Gies (2020): Microporous and Mesoporous Materials, Volume 296, Issue , Pages No. 109981. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | C6H14N2[Si40O76(OH)8] |
Lattice parameters of the 2D cell of the layer |
|
Lattice parameters related to the stacking direction |
|
Space group | C2 |
XRD reflections representing the 2D cell of the layer |
|
XRD reflections representing the layer-layer distance |
|
Reference |
Krysiak, Marler, Barton, Plana-Ruiz, Gies, Neder & Kolb (2020): IUCrJ, Volume 7, Issue , Pages 522-534. |
Properties
Density (calculated) | 2.010 g/cm3 |
Condensation product | nearly amorphous |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 0 | 1 | 2 | 4.465 | 100.0 | 19.772 |
0 | 0 | 2 | 2 | 8.938 | 10.6 | 9.886 |
-1 | 1 | 1 | 4 | 12.206 | 0.7 | 7.245 |
1 | 1 | 0 | 4 | 12.296 | 3.2 | 7.192 |
0 | 0 | 3 | 2 | 13.424 | 0.3 | 6.591 |
-1 | 1 | 2 | 4 | 13.674 | 3.2 | 6.470 |
1 | 1 | 1 | 4 | 13.915 | 7.7 | 6.359 |
-1 | 1 | 3 | 4 | 16.292 | 2.9 | 5.436 |
0 | 2 | 0 | 2 | 16.608 | 1.0 | 5.333 |
1 | 1 | 2 | 4 | 16.629 | 4.4 | 5.327 |
0 | 2 | 1 | 4 | 17.206 | 1.5 | 5.149 |
-2 | 0 | 1 | 2 | 17.511 | 0.1 | 5.061 |
0 | 0 | 4 | 2 | 17.930 | 7.3 | 4.943 |
-2 | 0 | 2 | 2 | 17.957 | 0.5 | 4.936 |
2 | 0 | 0 | 2 | 18.203 | 0.5 | 4.870 |
. | . | . | . | . | . | |
0 | 2 | 2 | 4 | 18.891 | 1.2 | 4.694 |
-2 | 0 | 3 | 2 | 19.464 | 3.2 | 4.557 |
-1 | 1 | 4 | 4 | 19.616 | 5.0 | 4.522 |
2 | 0 | 1 | 2 | 19.917 | 2.0 | 4.454 |
1 | 1 | 3 | 4 | 20.010 | 5.0 | 4.434 |
0 | 2 | 3 | 4 | 21.415 | 5.1 | 4.146 |
-2 | 0 | 4 | 2 | 21.823 | 2.8 | 4.069 |
2 | 0 | 2 | 2 | 22.431 | 2.4 | 3.960 |
0 | 0 | 5 | 2 | 22.465 | 1.4 | 3.954 |
-1 | 1 | 5 | 4 | 23.362 | 7.4 | 3.805 |
1 | 1 | 4 | 4 | 23.792 | 3.9 | 3.737 |
-2 | 2 | 1 | 4 | 24.225 | 1.3 | 3.671 |
0 | 2 | 4 | 4 | 24.534 | 9.8 | 3.625 |
-2 | 2 | 2 | 4 | 24.554 | 1.0 | 3.623 |
2 | 2 | 0 | 4 | 24.737 | 1.4 | 3.596 |
-2 | 0 | 5 | 2 | 24.803 | 2.0 | 3.587 |
2 | 0 | 3 | 2 | 25.521 | 0.1 | 3.487 |
-2 | 2 | 3 | 4 | 25.693 | 26.7 | 3.465 |
2 | 2 | 1 | 4 | 26.043 | 43.5 | 3.419 |
-1 | 3 | 1 | 4 | 26.626 | 1.3 | 3.345 |
1 | 3 | 0 | 4 | 26.668 | 0.3 | 3.340 |
0 | 0 | 6 | 2 | 27.036 | 0.3 | 3.295 |
-1 | 3 | 2 | 4 | 27.350 | 0.9 | 3.258 |
-1 | 1 | 6 | 4 | 27.378 | 2.9 | 3.255 |
1 | 3 | 1 | 4 | 27.474 | 1.4 | 3.244 |
-2 | 2 | 4 | 4 | 27.548 | 14.2 | 3.235 |
-3 | 1 | 2 | 4 | 27.743 | 0.3 | 3.213 |
1 | 1 | 5 | 4 | 27.831 | 0.6 | 3.203 |
-3 | 1 | 1 | 4 | 27.866 | 1.1 | 3.199 |
2 | 2 | 2 | 4 | 28.040 | 2.6 | 3.180 |
0 | 2 | 5 | 4 | 28.068 | 9.0 | 3.177 |
-2 | 0 | 6 | 2 | 28.224 | 0.5 | 3.159 |
-3 | 1 | 3 | 4 | 28.361 | 0.2 | 3.144 |
3 | 1 | 0 | 4 | 28.720 | 0.3 | 3.106 |
-1 | 3 | 3 | 4 | 28.788 | 0.0 | 3.099 |
1 | 3 | 2 | 4 | 28.986 | 0.2 | 3.078 |
2 | 0 | 4 | 2 | 29.021 | 0.7 | 3.074 |
-3 | 1 | 4 | 4 | 29.677 | 1.6 | 3.008 |
-2 | 2 | 5 | 4 | 29.999 | 0.5 | 2.976 |
3 | 1 | 1 | 4 | 30.250 | 1.0 | 2.952 |
2 | 2 | 3 | 4 | 30.604 | 1.9 | 2.919 |
-1 | 3 | 4 | 4 | 30.848 | 0.9 | 2.896 |
1 | 3 | 3 | 4 | 31.108 | 3.6 | 2.873 |
-1 | 1 | 7 | 4 | 31.581 | 0.4 | 2.831 |
-3 | 1 | 5 | 4 | 31.612 | 1.6 | 2.828 |
0 | 0 | 7 | 2 | 31.651 | 0.3 | 2.825 |
0 | 2 | 6 | 4 | 31.897 | 1.5 | 2.803 |
-2 | 0 | 7 | 2 | 31.964 | 0.7 | 2.798 |
1 | 1 | 6 | 4 | 32.052 | 0.5 | 2.790 |
3 | 1 | 2 | 4 | 32.369 | 0.3 | 2.764 |
2 | 0 | 5 | 2 | 32.819 | 1.2 | 2.727 |
-2 | 2 | 6 | 4 | 32.925 | 0.3 | 2.718 |
-1 | 3 | 5 | 4 | 33.428 | 0.3 | 2.678 |
0 | 4 | 0 | 2 | 33.579 | 0.4 | 2.667 |
2 | 2 | 4 | 4 | 33.621 | 0.5 | 2.664 |
1 | 3 | 4 | 4 | 33.739 | 0.1 | 2.654 |
0 | 4 | 1 | 4 | 33.892 | 0.0 | 2.643 |
-3 | 1 | 6 | 4 | 34.072 | 0.8 | 2.629 |
0 | 4 | 2 | 4 | 34.817 | 0.5 | 2.575 |
3 | 1 | 3 | 4 | 34.982 | 0.4 | 2.563 |
-4 | 0 | 2 | 2 | 35.448 | 0.0 | 2.530 |
-4 | 0 | 3 | 2 | 35.616 | 1.4 | 2.519 |
-4 | 0 | 1 | 2 | 35.878 | 0.2 | 2.501 |
-1 | 1 | 8 | 4 | 35.930 | 0.2 | 2.497 |
-2 | 0 | 8 | 2 | 35.945 | 0.2 | 2.496 |
0 | 2 | 7 | 4 | 35.949 | 0.4 | 2.496 |
-2 | 2 | 7 | 4 | 36.229 | 0.1 | 2.478 |
0 | 4 | 3 | 4 | 36.312 | 0.0 | 2.472 |
0 | 0 | 8 | 2 | 36.319 | 0.5 | 2.472 |
-4 | 0 | 4 | 2 | 36.374 | 0.0 | 2.468 |
1 | 1 | 7 | 4 | 36.415 | 0.6 | 2.465 |
1 | 3 | 6 | 4 | 36.433 | 0.2 | 2.464 |
-3 | 3 | 2 | 4 | 36.716 | 0.1 | 2.446 |
1 | 3 | 5 | 4 | 36.785 | 0.8 | 2.441 |
-3 | 3 | 1 | 4 | 36.812 | 0.1 | 2.440 |
2 | 0 | 6 | 2 | 36.846 | 0.3 | 2.437 |
4 | 0 | 0 | 2 | 36.886 | 0.0 | 2.435 |
-3 | 1 | 7 | 4 | 36.967 | 0.1 | 2.430 |
2 | 2 | 5 | 4 | 36.997 | 0.1 | 2.428 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
SI2 | 0.4437 | -0.0091 | 0.6690 | 0.95 | 1.000 | |
SI3 | 0.0000 | 0.9460 | 0.0000 | 0.95 | 1.000 | |
SI4 | 0.2615 | 0.6257 | 0.0153 | 0.95 | 1.000 | |
SI5 | 0.3050 | 0.3142 | 0.3415 | 0.95 | 1.000 | |
SI6 | 0.0000 | 0.4457 | 0.0000 | 0.95 | 1.000 | |
SI7 | 0.1508 | 0.6319 | 0.2169 | 0.95 | 1.000 | |
SI8 | -0.0631 | 0.7720 | 0.1026 | 0.95 | 1.000 | |
SI9 | 0.3929 | 0.4494 | 0.2207 | 0.95 | 1.000 | |
SI10 | -0.0428 | 0.2946 | 0.1209 | 0.95 | 1.000 | |
SI11 | 0.1444 | 0.1186 | 0.2301 | 0.95 | 1.000 | |
SI12 | 0.6887 | -0.1266 | 0.7671 | 0.95 | 1.000 | |
O1 | 0.2482 | 0.5285 | 0.1947 | 1.90 | 1.000 | |
O2 | -0.1632 | 0.1948 | 0.0840 | 1.90 | 1.000 | |
O3 | 0.3895 | 0.3529 | 0.1601 | 1.90 | 1.000 | |
O4 | 0.0218 | 0.8611 | 0.0657 | 1.90 | 1.000 | |
O5 | 0.5132 | 0.5518 | 0.2475 | 1.90 | 1.000 | |
O6 | 0.3791 | 0.2893 | 0.4200 | 1.90 | 1.000 | |
O7 | 0.0769 | 0.2023 | 0.1638 | 1.90 | 1.000 | |
O8 | 0.0338 | 0.3618 | 0.0692 | 1.90 | 1.000 | |
O9 | -0.0991 | 0.3569 | 0.1794 | 1.90 | 1.000 | |
O10 | -0.1913 | 0.7184 | 0.0447 | 1.90 | 1.000 | |
O11 | 0.2504 | 0.7460 | 0.2528 | 1.90 | 1.000 | |
O12 | 0.2215 | 0.1952 | 0.2991 | 1.90 | 1.000 | |
O13 | 0.0462 | 0.6674 | 0.1435 | 1.90 | 1.000 | |
O14 | 0.3844 | 0.3859 | 0.2926 | 1.90 | 1.000 | |
O15 | 0.1300 | 0.5406 | 0.0133 | 1.90 | 1.000 | |
O16 | 0.1305 | 1.0327 | 0.0040 | 1.90 | 1.000 | |
O17 | 0.2241 | 0.0030 | 0.2057 | 1.90 | 1.000 | |
O18 | 0.4772 | 0.0767 | 0.6096 | 1.90 | 1.000 | |
O19 | 0.1954 | 0.4072 | 0.3613 | 1.90 | 1.000 | |
O20 | 0.0838 | 0.5875 | 0.2764 | 1.90 | 1.000 | |
O21 | 0.5816 | -0.0922 | 0.6950 | 1.90 | 1.000 | |
C1 | 0.6775 | 0.8348 | 0.5264 | 4.00 | 1.333 | |
C3 | 0.5805 | -0.2838 | 0.5059 | 4.00 | 1.333 | |
C5 | 0.5795 | 0.9498 | 0.5064 | 4.00 | 1.333 | |
C2 | 0.6236 | 0.6013 | 0.4718 | 4.00 | 0.667 | |
N2 | 0.5293 | 0.6564 | 0.4117 | 4.00 | 0.667 | |
N1 | 0.7135 | 0.9949 | 0.6127 | 4.00 | 0.667 | |
C7 | 0.7859 | 0.9059 | 0.5803 | 4.00 | 0.667 |
User Cell Range (natural numbers 1-5):
No data available