Synthesis
Mixture | 0.9 SiO2 : 0.1 H3BO3 : 0.5 SDA : 3-4 H2O |
SDA | Benzyltrimethylammonium |
Temperature | 120.00 °C |
Duration | 21-30 d |
Conditions | n/a |
Reference |
Li, Marler & Gies (2008): Chemistry of Materials, Volume 20, Issue 5, Pages 1896-1901. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | [C6H5CH2N(CH3)3]4 [Si12O24(OH)4] |
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 | Pca2(1) |
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 |
Li, Marler & Gies (2008): Chemistry of Materials, Volume 20, Issue 5, Pages 1896-1901. |
Properties
Density (calculated) | 1.603 g/cm3 |
Condensation product | amorphous |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 1 | 0 | 2 | 6.128 | 100.0 | 14.412 |
1 | 1 | 0 | 4 | 12.202 | 1.4 | 7.248 |
0 | 2 | 0 | 2 | 12.273 | 2.3 | 7.206 |
1 | 1 | 1 | 8 | 14.355 | 1.1 | 6.165 |
0 | 0 | 2 | 2 | 15.101 | 0.3 | 5.862 |
1 | 2 | 0 | 4 | 16.205 | 0.1 | 5.465 |
0 | 1 | 2 | 4 | 16.310 | 35.2 | 5.430 |
1 | 2 | 1 | 8 | 17.892 | 23.5 | 4.954 |
0 | 3 | 0 | 2 | 18.454 | 2.8 | 4.804 |
1 | 1 | 2 | 8 | 19.459 | 0.0 | 4.558 |
0 | 2 | 2 | 4 | 19.505 | 6.2 | 4.548 |
2 | 0 | 0 | 2 | 21.173 | 9.7 | 4.193 |
1 | 3 | 0 | 4 | 21.298 | 0.0 | 4.168 |
2 | 1 | 0 | 4 | 22.062 | 2.5 | 4.026 |
1 | 2 | 2 | 8 | 22.220 | 0.5 | 3.998 |
. | . | . | . | . | . | |
2 | 0 | 1 | 4 | 22.503 | 0.5 | 3.948 |
1 | 3 | 1 | 8 | 22.621 | 25.5 | 3.928 |
2 | 1 | 1 | 8 | 23.343 | 14.5 | 3.808 |
0 | 3 | 2 | 4 | 23.929 | 0.3 | 3.716 |
2 | 2 | 0 | 4 | 24.544 | 1.3 | 3.624 |
0 | 4 | 0 | 2 | 24.689 | 0.2 | 3.603 |
2 | 2 | 1 | 8 | 25.709 | 3.5 | 3.462 |
1 | 1 | 3 | 8 | 25.879 | 16.8 | 3.440 |
2 | 0 | 2 | 4 | 26.109 | 12.8 | 3.410 |
1 | 3 | 2 | 8 | 26.211 | 7.4 | 3.397 |
2 | 1 | 2 | 8 | 26.843 | 1.9 | 3.319 |
1 | 4 | 0 | 4 | 26.911 | 3.2 | 3.310 |
1 | 4 | 1 | 8 | 27.984 | 0.4 | 3.186 |
1 | 2 | 3 | 8 | 28.046 | 11.3 | 3.179 |
2 | 3 | 0 | 4 | 28.228 | 9.6 | 3.159 |
2 | 2 | 2 | 8 | 28.942 | 0.9 | 3.083 |
0 | 4 | 2 | 4 | 29.067 | 1.3 | 3.070 |
2 | 3 | 1 | 8 | 29.257 | 0.4 | 3.050 |
0 | 0 | 4 | 2 | 30.472 | 0.6 | 2.931 |
1 | 4 | 2 | 8 | 30.999 | 1.8 | 2.883 |
0 | 5 | 0 | 2 | 31.000 | 0.6 | 2.882 |
0 | 1 | 4 | 4 | 31.112 | 0.1 | 2.872 |
2 | 0 | 3 | 4 | 31.263 | 4.9 | 2.859 |
1 | 3 | 3 | 8 | 31.350 | 1.8 | 2.851 |
2 | 1 | 3 | 8 | 31.888 | 1.1 | 2.804 |
2 | 3 | 2 | 8 | 32.163 | 0.1 | 2.781 |
3 | 1 | 0 | 4 | 32.606 | 1.1 | 2.744 |
2 | 4 | 0 | 4 | 32.746 | 6.1 | 2.733 |
1 | 5 | 0 | 4 | 32.829 | 0.1 | 2.726 |
1 | 1 | 4 | 8 | 32.935 | 0.0 | 2.717 |
0 | 2 | 4 | 4 | 32.963 | 0.4 | 2.715 |
3 | 1 | 1 | 8 | 33.513 | 0.4 | 2.672 |
2 | 4 | 1 | 8 | 33.649 | 0.4 | 2.661 |
2 | 2 | 3 | 8 | 33.701 | 0.5 | 2.657 |
1 | 5 | 1 | 8 | 33.731 | 1.4 | 2.655 |
3 | 2 | 0 | 4 | 34.386 | 1.6 | 2.606 |
0 | 5 | 2 | 4 | 34.651 | 0.2 | 2.587 |
1 | 2 | 4 | 8 | 34.700 | 2.4 | 2.583 |
3 | 2 | 1 | 8 | 35.252 | 0.5 | 2.544 |
1 | 4 | 3 | 8 | 35.510 | 0.0 | 2.526 |
0 | 3 | 4 | 4 | 35.860 | 0.5 | 2.502 |
3 | 1 | 2 | 8 | 36.112 | 0.1 | 2.485 |
2 | 4 | 2 | 8 | 36.240 | 0.1 | 2.477 |
1 | 5 | 2 | 8 | 36.316 | 0.0 | 2.472 |
2 | 3 | 3 | 8 | 36.546 | 0.4 | 2.457 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | -0.7477 | 0.5354 | 0.2562 | 1.38 | 1.000 | |
Si2 | -0.4443 | 0.6247 | 0.3662 | 1.38 | 1.000 | |
Si3 | -0.9468 | 0.3813 | 0.6359 | 1.38 | 1.000 | |
O1 | -0.4780 | 0.6300 | 0.5014 | 1.95 | 1.000 | |
O2 | -0.3370 | 0.5329 | 0.3456 | 1.95 | 1.000 | |
O3 | -1.1204 | 0.4000 | 0.6934 | 1.95 | 1.000 | |
O4 | -0.3710 | 0.7180 | 0.3189 | 1.95 | 1.000 | |
O5 | -0.8620 | 0.2962 | 0.6950 | 1.95 | 1.000 | |
O6 | -0.6213 | 0.6065 | 0.3146 | 1.95 | 1.000 | |
O7 | -0.8434 | 0.4755 | 0.6585 | 1.95 | 1.000 | |
C11 | 0.3909 | 0.0812 | 0.5011 | 5.28 | 1.070 | |
C12 | 0.4091 | 0.0466 | 0.6115 | 5.28 | 1.070 | |
C13 | 0.4630 | -0.0437 | 0.6276 | 5.28 | 1.070 | |
C14 | 0.4820 | -0.1023 | 0.5342 | 5.28 | 1.070 | |
C15 | 0.4530 | -0.0696 | 0.4243 | 5.28 | 1.070 | |
C16 | 0.4090 | 0.0224 | 0.4076 | 5.28 | 1.070 | |
N1 | 0.0254 | -0.2448 | 0.5080 | 9.28 | 1.000 | |
C21 | 0.6178 | 0.8133 | -0.0202 | 9.28 | 1.330 | |
C22 | 0.5335 | 0.6578 | 0.0120 | 9.28 | 1.500 | |
C23 | 0.1445 | 0.7676 | 0.4126 | 9.28 | 1.500 | |
C24 | 0.4090 | 0.7908 | 0.1198 | 9.28 | 1.500 |
User Cell Range (natural numbers 1-5):