Synthesis
Mixture | SiO2 : 0.2-0.4 SDA : 0.2 NaOH : 0-0.2 biphenyl : 5.5-10.5 H2O |
SDA | Benzyltrimethylammonium hydroxide |
Temperature | 125.00 °C |
Duration | 7-14 d |
Conditions | static |
Reference |
Tsunoji, Ikeda, Sadakane & Sano (2014): Journal of Materials Chemistry, Volume 2, Issue 10, Pages 3372-3380. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | (C10H16N)8 [Si40O72(OH)16] ∙ 23.7 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/c |
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 |
Tsunoji, Ikeda, Sadakane & Sano (2014): Journal of Materials Chemistry, Volume 2, Issue 10, Pages 3372-3380. |
Properties
Density (calculated) | 1.664 g/cm3 |
Condensation product | unknown |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 0 | 2 | 2 | 5.363 | 100.0 | 16.464 |
2 | 0 | 0 | 2 | 10.362 | 1.6 | 8.530 |
0 | 0 | 4 | 2 | 10.739 | 1.2 | 8.232 |
-2 | 0 | 2 | 2 | 11.301 | 2.4 | 7.823 |
2 | 0 | 2 | 2 | 12.036 | 2.4 | 7.347 |
1 | 1 | 0 | 4 | 13.038 | 1.0 | 6.785 |
-1 | 1 | 1 | 4 | 13.233 | 0.2 | 6.685 |
1 | 1 | 1 | 4 | 13.394 | 0.6 | 6.605 |
-1 | 1 | 2 | 4 | 13.954 | 0.0 | 6.341 |
1 | 1 | 2 | 4 | 14.259 | 1.6 | 6.207 |
-2 | 0 | 4 | 2 | 14.356 | 0.1 | 6.165 |
-1 | 1 | 3 | 4 | 15.129 | 0.7 | 5.851 |
2 | 0 | 4 | 2 | 15.510 | 2.7 | 5.709 |
1 | 1 | 3 | 4 | 15.550 | 0.4 | 5.694 |
0 | 0 | 6 | 2 | 16.138 | 0.2 | 5.488 |
. | . | . | . | . | . | |
-1 | 1 | 4 | 4 | 16.664 | 0.4 | 5.316 |
1 | 1 | 4 | 4 | 17.175 | 0.8 | 5.159 |
-1 | 1 | 5 | 4 | 18.472 | 0.0 | 4.799 |
-2 | 0 | 6 | 2 | 18.526 | 3.1 | 4.785 |
1 | 1 | 5 | 4 | 19.050 | 0.0 | 4.655 |
3 | 1 | 0 | 4 | 19.678 | 0.3 | 4.508 |
-3 | 1 | 1 | 4 | 19.698 | 0.0 | 4.503 |
2 | 0 | 6 | 2 | 19.882 | 3.6 | 4.462 |
3 | 1 | 1 | 4 | 20.026 | 0.1 | 4.430 |
-3 | 1 | 2 | 4 | 20.087 | 0.0 | 4.417 |
-1 | 1 | 6 | 4 | 20.485 | 8.4 | 4.332 |
3 | 1 | 2 | 4 | 20.727 | 0.7 | 4.282 |
4 | 0 | 0 | 2 | 20.810 | 1.6 | 4.265 |
-3 | 1 | 3 | 4 | 20.825 | 1.1 | 4.262 |
-4 | 0 | 2 | 2 | 21.096 | 0.0 | 4.208 |
1 | 1 | 6 | 4 | 21.113 | 4.2 | 4.205 |
0 | 0 | 8 | 2 | 21.573 | 0.0 | 4.116 |
3 | 1 | 3 | 4 | 21.746 | 1.4 | 4.084 |
-3 | 1 | 4 | 4 | 21.878 | 0.8 | 4.059 |
4 | 0 | 2 | 2 | 21.906 | 2.1 | 4.054 |
-1 | 1 | 7 | 4 | 22.653 | 2.1 | 3.922 |
-4 | 0 | 4 | 2 | 22.714 | 2.8 | 3.912 |
3 | 1 | 4 | 4 | 23.045 | 0.0 | 3.856 |
-3 | 1 | 5 | 4 | 23.205 | 3.7 | 3.830 |
-2 | 0 | 8 | 2 | 23.245 | 0.0 | 3.824 |
1 | 1 | 7 | 4 | 23.319 | 1.9 | 3.812 |
0 | 2 | 0 | 2 | 24.051 | 0.0 | 3.697 |
0 | 2 | 1 | 4 | 24.204 | 1.6 | 3.674 |
4 | 0 | 4 | 2 | 24.208 | 2.5 | 3.674 |
3 | 1 | 5 | 4 | 24.581 | 0.4 | 3.619 |
0 | 2 | 2 | 4 | 24.659 | 1.8 | 3.607 |
2 | 0 | 8 | 2 | 24.707 | 0.0 | 3.600 |
-3 | 1 | 6 | 4 | 24.765 | 0.1 | 3.592 |
-1 | 1 | 8 | 4 | 24.938 | 0.9 | 3.568 |
0 | 2 | 3 | 4 | 25.400 | 2.0 | 3.504 |
-4 | 0 | 6 | 2 | 25.426 | 1.9 | 3.500 |
1 | 1 | 8 | 4 | 25.634 | 0.0 | 3.472 |
2 | 2 | 0 | 4 | 26.249 | 3.5 | 3.392 |
-2 | 2 | 1 | 4 | 26.307 | 0.0 | 3.385 |
3 | 1 | 6 | 4 | 26.316 | 0.4 | 3.384 |
0 | 2 | 4 | 4 | 26.405 | 0.2 | 3.373 |
2 | 2 | 1 | 4 | 26.474 | 0.0 | 3.364 |
-3 | 1 | 7 | 4 | 26.520 | 0.7 | 3.358 |
-2 | 2 | 2 | 4 | 26.646 | 0.8 | 3.343 |
2 | 2 | 2 | 4 | 26.975 | 0.0 | 3.303 |
0 | 0 | 10 | 2 | 27.058 | 0.1 | 3.293 |
-2 | 2 | 3 | 4 | 27.256 | 0.2 | 3.269 |
-1 | 1 | 9 | 4 | 27.317 | 0.3 | 3.262 |
4 | 0 | 6 | 2 | 27.429 | 1.0 | 3.249 |
0 | 2 | 5 | 4 | 27.647 | 3.1 | 3.224 |
2 | 2 | 3 | 4 | 27.739 | 0.4 | 3.214 |
1 | 1 | 9 | 4 | 28.037 | 0.2 | 3.180 |
-2 | 2 | 4 | 4 | 28.121 | 0.0 | 3.171 |
3 | 1 | 7 | 4 | 28.217 | 0.2 | 3.160 |
-2 | 0 | 10 | 2 | 28.270 | 0.4 | 3.154 |
-3 | 1 | 8 | 4 | 28.438 | 0.1 | 3.136 |
-5 | 1 | 1 | 4 | 28.730 | 0.5 | 3.105 |
2 | 2 | 4 | 4 | 28.745 | 0.0 | 3.103 |
5 | 1 | 0 | 4 | 28.793 | 0.1 | 3.098 |
-5 | 1 | 2 | 4 | 28.928 | 0.3 | 3.084 |
-4 | 0 | 8 | 2 | 28.944 | 0.3 | 3.082 |
0 | 2 | 6 | 4 | 29.099 | 0.1 | 3.066 |
5 | 1 | 1 | 4 | 29.114 | 0.3 | 3.065 |
-2 | 2 | 5 | 4 | 29.220 | 0.1 | 3.054 |
-5 | 1 | 3 | 4 | 29.381 | 0.4 | 3.038 |
5 | 1 | 2 | 4 | 29.687 | 0.1 | 3.007 |
-1 | 1 | 10 | 4 | 29.772 | 0.0 | 2.998 |
2 | 0 | 10 | 2 | 29.801 | 0.4 | 2.996 |
2 | 2 | 5 | 4 | 29.972 | 0.0 | 2.979 |
-5 | 1 | 4 | 4 | 30.078 | 0.2 | 2.969 |
3 | 1 | 8 | 4 | 30.257 | 0.3 | 2.951 |
-3 | 1 | 9 | 4 | 30.492 | 0.6 | 2.929 |
5 | 1 | 3 | 4 | 30.497 | 0.4 | 2.929 |
1 | 1 | 10 | 4 | 30.512 | 0.5 | 2.927 |
-2 | 2 | 6 | 4 | 30.530 | 0.2 | 2.926 |
0 | 2 | 7 | 4 | 30.734 | 0.1 | 2.907 |
-5 | 1 | 5 | 4 | 31.006 | 0.1 | 2.882 |
4 | 0 | 8 | 2 | 31.313 | 0.0 | 2.854 |
2 | 2 | 6 | 4 | 31.396 | 0.0 | 2.847 |
6 | 0 | 0 | 2 | 31.436 | 1.4 | 2.843 |
-6 | 0 | 2 | 2 | 31.489 | 0.5 | 2.839 |
5 | 1 | 4 | 4 | 31.529 | 0.2 | 2.835 |
-4 | 2 | 1 | 4 | 31.989 | 0.0 | 2.796 |
4 | 2 | 0 | 4 | 32.010 | 0.2 | 2.794 |
-2 | 2 | 7 | 4 | 32.029 | 0.3 | 2.792 |
-5 | 1 | 6 | 4 | 32.146 | 0.1 | 2.782 |
-4 | 2 | 2 | 4 | 32.203 | 0.1 | 2.777 |
4 | 2 | 1 | 4 | 32.268 | 0.0 | 2.772 |
-1 | 1 | 11 | 4 | 32.291 | 0.0 | 2.770 |
6 | 0 | 2 | 2 | 32.333 | 0.0 | 2.767 |
3 | 1 | 9 | 4 | 32.415 | 0.2 | 2.760 |
-6 | 0 | 4 | 2 | 32.489 | 0.0 | 2.754 |
0 | 2 | 8 | 4 | 32.527 | 0.1 | 2.751 |
0 | 0 | 12 | 2 | 32.607 | 0.0 | 2.744 |
-4 | 2 | 3 | 4 | 32.649 | 0.1 | 2.741 |
-3 | 1 | 10 | 4 | 32.661 | 0.0 | 2.740 |
4 | 2 | 2 | 4 | 32.756 | 0.0 | 2.732 |
5 | 1 | 5 | 4 | 32.765 | 0.4 | 2.731 |
2 | 2 | 7 | 4 | 32.996 | 0.0 | 2.712 |
-4 | 0 | 10 | 2 | 33.041 | 0.0 | 2.709 |
1 | 1 | 11 | 4 | 33.048 | 0.1 | 2.708 |
-4 | 2 | 4 | 4 | 33.319 | 0.0 | 2.687 |
4 | 2 | 3 | 4 | 33.466 | 0.2 | 2.675 |
-5 | 1 | 7 | 4 | 33.479 | 0.4 | 2.674 |
-2 | 2 | 8 | 4 | 33.694 | 0.5 | 2.658 |
6 | 0 | 4 | 2 | 34.113 | 0.0 | 2.626 |
5 | 1 | 6 | 4 | 34.184 | 0.5 | 2.621 |
-4 | 2 | 5 | 4 | 34.201 | 0.0 | 2.620 |
-6 | 0 | 6 | 2 | 34.362 | 0.0 | 2.608 |
4 | 2 | 4 | 4 | 34.386 | 0.0 | 2.606 |
0 | 2 | 9 | 4 | 34.459 | 0.1 | 2.601 |
3 | 1 | 10 | 4 | 34.672 | 0.0 | 2.585 |
2 | 2 | 8 | 4 | 34.751 | 0.0 | 2.579 |
-1 | 1 | 12 | 4 | 34.866 | 0.0 | 2.571 |
-3 | 1 | 11 | 4 | 34.929 | 0.0 | 2.567 |
-5 | 1 | 8 | 4 | 34.987 | 0.0 | 2.563 |
2 | 0 | 12 | 2 | 35.085 | 0.0 | 2.556 |
-4 | 2 | 6 | 4 | 35.281 | 0.0 | 2.542 |
4 | 2 | 5 | 4 | 35.501 | 0.0 | 2.527 |
-2 | 2 | 9 | 4 | 35.506 | 0.3 | 2.526 |
1 | 1 | 12 | 4 | 35.638 | 0.5 | 2.517 |
4 | 0 | 10 | 2 | 35.674 | 0.1 | 2.515 |
5 | 1 | 7 | 4 | 35.768 | 0.2 | 2.508 |
0 | 2 | 10 | 4 | 36.512 | 0.0 | 2.459 |
-4 | 2 | 7 | 4 | 36.544 | 0.1 | 2.457 |
2 | 2 | 9 | 4 | 36.642 | 0.2 | 2.451 |
-5 | 1 | 9 | 4 | 36.650 | 0.0 | 2.450 |
6 | 0 | 6 | 2 | 36.664 | 0.0 | 2.449 |
4 | 2 | 6 | 4 | 36.797 | 0.0 | 2.441 |
1 | 3 | 0 | 4 | 36.813 | 0.0 | 2.440 |
-1 | 3 | 1 | 4 | 36.887 | 0.2 | 2.435 |
1 | 3 | 1 | 4 | 36.949 | 0.2 | 2.431 |
-6 | 0 | 8 | 2 | 36.991 | 0.0 | 2.428 |
3 | 1 | 11 | 4 | 37.016 | 0.0 | 2.427 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.1660 | 0.0880 | 0.0319 | 1.56 | 1.000 | |
Si2 | 0.4938 | 0.1340 | 0.0843 | 1.56 | 1.000 | |
Si3 | 0.0890 | 0.2780 | 0.5033 | 1.56 | 1.000 | |
Si4 | 0.3382 | 0.1000 | 0.0329 | 1.56 | 1.000 | |
Si5 | 0.0321 | 0.2290 | 0.0806 | 1.56 | 1.000 | |
O1 | 0.2560 | 0.0810 | 0.0504 | 2.29 | 1.000 | |
O2 | 0.0280 | 0.4360 | 0.0995 | 2.29 | 1.000 | |
O3 | 0.3540 | 0.0540 | 0.5015 | 2.29 | 1.000 | |
O4 | 0.3970 | 0.1140 | 0.0746 | 2.29 | 1.000 | |
O5 | 0.3350 | 0.2760 | 0.0056 | 2.29 | 1.000 | |
O6 | 0.0250 | 0.2340 | 0.4633 | 2.29 | 1.000 | |
O7 | 0.1200 | 0.1650 | 0.0680 | 2.29 | 1.000 | |
O8 | 0.5300 | 0.1860 | 0.0410 | 2.29 | 1.000 | |
O9 | 0.5120 | 0.2730 | 0.1206 | 2.29 | 1.000 | |
O10 | 0.1490 | 0.1140 | 0.5190 | 2.29 | 1.000 | |
O11 | 0.0040 | 0.1010 | 0.1176 | 2.29 | 1.000 | |
N1 | 0.2280 | 0.0770 | 0.3650 | 0.63 | 1.000 | |
C1 | 0.2180 | 0.2680 | 0.3680 | 0.63 | 1.000 | |
C2 | 0.1710 | 0.0210 | 0.3420 | 0.63 | 1.000 | |
C3 | 0.2990 | 0.0560 | 0.3480 | 0.63 | 1.000 | |
C4 | 0.2770 | 0.4790 | 0.0990 | 0.63 | 1.000 | |
C5 | 0.2260 | 0.4010 | 0.3320 | 0.63 | 1.000 | |
C6 | 0.3320 | 0.0750 | 0.2200 | 0.63 | 1.000 | |
C7 | 0.2000 | 0.1020 | 0.2050 | 0.63 | 1.000 | |
C8 | 0.1640 | 0.4590 | 0.3100 | 0.63 | 1.000 | |
C9 | 0.2690 | 0.1490 | 0.2290 | 0.63 | 1.000 | |
C10 | 0.2940 | 0.4790 | 0.3250 | 0.63 | 1.000 | |
OW1 | 0.0000 | 0.0700 | 0.2500 | 18.40 | 1.000 | |
OW2 | 0.0390 | 0.3200 | 0.1960 | 18.40 | 0.850 | |
OW3 | 0.2920 | 0.4900 | 0.2140 | 18.40 | 0.610 | |
OW4 | 0.2640 | 0.2340 | 0.4550 | 18.40 | 1.000 |
User Cell Range (natural numbers 1-5):