Synthesis
Mixture | 1 SiO2 : 0.75 SDA : 55.52 H2O |
SDA | Tetramethylammonium hydroxide |
Temperature | 120.00 °C |
Duration | 5-28 d |
Conditions | n/a |
Reference |
Oberhagemann, Bayat, Gies, Marler & Rius (1996): Angewandte Chemie, Volume 35, Issue 23-24, Pages 2869-2872. |
Crystal Structure
Comment | The chemical composition as presented in the title of the publication is incorrect, four protons are missing |
Structurally nearly identical materials | None |
Crystal chemically related materials | |
Chemical composition per unit cell | [N(CH3)4]8 [Si24O48(OH)8] ∙ 20 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 | Iba2 |
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 |
Oberhagemann, Bayat, Gies, Marler & Rius (1996): Angewandte Chemie, Volume 35, Issue 23-24, Pages 2869-2872. |
Properties
Density (calculated) | 1.537 g/cm3 |
Condensation product | amorphous |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
2 | 0 | 0 | 2 | 6.319 | 100.0 | 13.977 |
1 | 1 | 0 | 4 | 10.962 | 2.0 | 8.065 |
4 | 0 | 0 | 2 | 12.656 | 0.1 | 6.989 |
3 | 1 | 0 | 4 | 14.163 | 0.0 | 6.248 |
2 | 1 | 1 | 8 | 14.469 | 5.7 | 6.117 |
0 | 0 | 2 | 2 | 15.347 | 4.2 | 5.769 |
2 | 0 | 2 | 4 | 16.612 | 14.1 | 5.332 |
4 | 1 | 1 | 8 | 18.184 | 21.0 | 4.875 |
1 | 1 | 2 | 8 | 18.899 | 1.8 | 4.692 |
6 | 0 | 0 | 2 | 19.033 | 0.1 | 4.659 |
5 | 1 | 0 | 4 | 19.037 | 0.4 | 4.658 |
4 | 0 | 2 | 4 | 19.942 | 8.2 | 4.449 |
3 | 1 | 2 | 8 | 20.942 | 0.2 | 4.239 |
0 | 2 | 0 | 2 | 21.079 | 3.5 | 4.211 |
2 | 2 | 0 | 4 | 22.026 | 0.4 | 4.032 |
. | . | . | . | . | . | |
1 | 2 | 1 | 8 | 22.683 | 11.9 | 3.917 |
6 | 1 | 1 | 8 | 23.120 | 16.1 | 3.844 |
3 | 2 | 1 | 8 | 24.425 | 0.8 | 3.641 |
6 | 0 | 2 | 4 | 24.541 | 0.4 | 3.625 |
5 | 1 | 2 | 8 | 24.544 | 1.6 | 3.624 |
7 | 1 | 0 | 4 | 24.652 | 2.8 | 3.608 |
4 | 2 | 0 | 4 | 24.661 | 3.2 | 3.607 |
8 | 0 | 0 | 2 | 25.471 | 3.1 | 3.494 |
0 | 2 | 2 | 4 | 26.178 | 6.2 | 3.401 |
2 | 1 | 3 | 8 | 26.239 | 17.9 | 3.394 |
2 | 2 | 2 | 8 | 26.956 | 1.6 | 3.305 |
5 | 2 | 1 | 8 | 27.600 | 0.1 | 3.229 |
4 | 1 | 3 | 8 | 28.510 | 2.8 | 3.128 |
6 | 2 | 0 | 4 | 28.548 | 2.8 | 3.124 |
8 | 1 | 1 | 8 | 28.698 | 1.1 | 3.108 |
7 | 1 | 2 | 8 | 29.168 | 4.8 | 3.059 |
4 | 2 | 2 | 8 | 29.176 | 1.0 | 3.058 |
8 | 0 | 2 | 4 | 29.871 | 1.7 | 2.989 |
9 | 1 | 0 | 4 | 30.654 | 0.6 | 2.914 |
0 | 0 | 4 | 2 | 30.979 | 0.9 | 2.884 |
1 | 2 | 3 | 8 | 31.643 | 2.8 | 2.825 |
2 | 0 | 4 | 4 | 31.649 | 0.2 | 2.825 |
7 | 2 | 1 | 8 | 31.815 | 0.0 | 2.810 |
6 | 1 | 3 | 8 | 31.966 | 3.1 | 2.798 |
10 | 0 | 0 | 2 | 31.991 | 0.0 | 2.795 |
1 | 3 | 0 | 4 | 32.013 | 0.9 | 2.794 |
6 | 2 | 2 | 8 | 32.568 | 0.2 | 2.747 |
3 | 2 | 3 | 8 | 32.946 | 0.2 | 2.716 |
1 | 1 | 4 | 8 | 32.954 | 0.0 | 2.716 |
8 | 2 | 0 | 4 | 33.291 | 7.2 | 2.689 |
3 | 3 | 0 | 4 | 33.303 | 1.3 | 2.688 |
2 | 3 | 1 | 8 | 33.441 | 1.0 | 2.677 |
4 | 0 | 4 | 4 | 33.586 | 0.2 | 2.666 |
3 | 1 | 4 | 8 | 34.212 | 0.7 | 2.619 |
9 | 1 | 2 | 8 | 34.452 | 0.1 | 2.601 |
10 | 1 | 1 | 8 | 34.665 | 0.4 | 2.586 |
4 | 3 | 1 | 8 | 35.290 | 0.3 | 2.541 |
5 | 2 | 3 | 8 | 35.424 | 0.3 | 2.532 |
10 | 0 | 2 | 4 | 35.662 | 0.1 | 2.516 |
1 | 3 | 2 | 8 | 35.682 | 0.0 | 2.514 |
5 | 3 | 0 | 4 | 35.759 | 0.5 | 2.509 |
8 | 1 | 3 | 8 | 36.308 | 0.1 | 2.472 |
6 | 0 | 4 | 4 | 36.613 | 0.0 | 2.452 |
5 | 1 | 4 | 8 | 36.615 | 1.0 | 2.452 |
9 | 2 | 1 | 8 | 36.759 | 0.0 | 2.443 |
8 | 2 | 2 | 8 | 36.848 | 0.5 | 2.437 |
3 | 3 | 2 | 8 | 36.859 | 0.5 | 2.437 |
11 | 1 | 0 | 4 | 36.916 | 0.1 | 2.433 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.3107 | 0.1946 | 0.3592 | 2.03 | 1.000 | |
Si2 | 0.2675 | 0.4985 | 0.2467 | 2.03 | 1.000 | |
Si3 | 0.1862 | -0.2973 | -0.3668 | 2.03 | 1.000 | |
O1 | 0.3216 | 0.2099 | 0.4954 | 3.04 | 1.000 | |
O2 | 0.2626 | 0.0931 | 0.3429 | 3.04 | 1.000 | |
O3 | 0.3556 | 0.1118 | 0.2975 | 3.04 | 1.000 | |
O4 | 0.3017 | 0.3682 | 0.3058 | 3.04 | 1.000 | |
O5 | 0.1989 | -0.1222 | -0.3210 | 3.04 | 1.000 | |
O6 | 0.1377 | -0.3598 | -0.3084 | 3.04 | 1.000 | |
O7 | 0.2307 | -0.4116 | -0.3389 | 3.04 | 1.000 | |
N1 | 0.4021 | 0.3176 | -0.0274 | 1.86 | 1.000 | |
C1 | 0.4211 | 0.3960 | 0.0825 | 12.03 | 1.170 | |
C2 | 0.3485 | 0.3061 | -0.0202 | 12.03 | 1.170 | |
C3 | 0.4231 | 0.1514 | -0.0392 | 12.03 | 1.170 | |
C4 | 0.4157 | 0.4173 | -0.1328 | 12.03 | 1.170 | |
W1 | 0.4419 | 0.1951 | 0.3627 | 1.58 | 1.070 | |
W2 | 0.0482 | -0.2853 | -0.3923 | 1.58 | 1.070 | |
W3 | 0.0000 | 0.5000 | 0.2784 | 1.58 | 0.540 |
User Cell Range (natural numbers 1-5):