Synthesis
Mixture | 0.5 SDA : 1 SiO2 : 20 H2O |
SDA | Trimethylisopropylammonium hydroxide |
Temperature | 150.00 °C |
Duration | 15 d |
Conditions | static |
Reference |
Marler, Wang, Song & Gies (2014): Dalton Transactions, Volume 43, Issue 27, Pages 10396-10416. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | [(CH3)3(C3H7)N]4 [Si36O72(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 | Pna2(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 |
Marler, Wang, Song & Gies (2014): Dalton Transactions, Volume 43, Issue 27, Pages 10396-10416. |
Properties
Density (calculated) | 1.903 g/cm3 |
Condensation product | Fairly ordered RUB-37 (zeolite framework type CDO) |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
2 | 0 | 0 | 2 | 7.930 | 100.0 | 11.141 |
2 | 1 | 0 | 4 | 10.139 | 0.5 | 8.717 |
1 | 0 | 1 | 4 | 12.621 | 4.7 | 7.008 |
0 | 2 | 0 | 2 | 12.636 | 2.8 | 7.000 |
0 | 1 | 1 | 4 | 13.548 | 0.5 | 6.530 |
1 | 1 | 1 | 8 | 14.121 | 7.4 | 6.267 |
2 | 0 | 1 | 4 | 14.381 | 1.2 | 6.154 |
2 | 2 | 0 | 4 | 14.935 | 0.6 | 5.927 |
2 | 1 | 1 | 8 | 15.717 | 0.8 | 5.634 |
4 | 0 | 0 | 2 | 15.897 | 0.1 | 5.570 |
3 | 0 | 1 | 4 | 16.920 | 3.9 | 5.236 |
4 | 1 | 0 | 4 | 17.118 | 6.6 | 5.176 |
1 | 2 | 1 | 8 | 17.896 | 6.9 | 4.953 |
3 | 1 | 1 | 8 | 18.074 | 2.6 | 4.904 |
2 | 2 | 1 | 8 | 19.188 | 0.3 | 4.622 |
. | . | . | . | . | . | |
4 | 0 | 1 | 4 | 19.952 | 0.4 | 4.447 |
4 | 2 | 0 | 4 | 20.358 | 21.0 | 4.359 |
2 | 3 | 0 | 4 | 20.618 | 1.6 | 4.304 |
4 | 1 | 1 | 8 | 20.945 | 1.7 | 4.238 |
3 | 2 | 1 | 8 | 21.173 | 9.2 | 4.193 |
0 | 3 | 1 | 4 | 22.522 | 0.7 | 3.945 |
1 | 3 | 1 | 8 | 22.877 | 5.5 | 3.884 |
5 | 0 | 1 | 4 | 23.297 | 3.0 | 3.815 |
4 | 2 | 1 | 8 | 23.686 | 0.7 | 3.753 |
2 | 3 | 1 | 8 | 23.911 | 1.2 | 3.718 |
6 | 0 | 0 | 2 | 23.944 | 3.7 | 3.714 |
0 | 0 | 2 | 2 | 24.090 | 1.4 | 3.691 |
5 | 1 | 1 | 8 | 24.159 | 3.8 | 3.681 |
1 | 0 | 2 | 4 | 24.423 | 1.6 | 3.642 |
6 | 1 | 0 | 4 | 24.785 | 5.5 | 3.589 |
4 | 3 | 0 | 4 | 24.870 | 13.5 | 3.577 |
1 | 1 | 2 | 8 | 25.249 | 2.0 | 3.524 |
2 | 0 | 2 | 4 | 25.398 | 10.9 | 3.504 |
0 | 4 | 0 | 2 | 25.428 | 17.8 | 3.500 |
3 | 3 | 1 | 8 | 25.548 | 0.6 | 3.484 |
2 | 1 | 2 | 8 | 26.196 | 7.2 | 3.399 |
5 | 2 | 1 | 8 | 26.588 | 10.5 | 3.350 |
2 | 4 | 0 | 4 | 26.675 | 7.5 | 3.339 |
6 | 0 | 1 | 4 | 26.853 | 0.0 | 3.317 |
3 | 0 | 2 | 4 | 26.951 | 3.2 | 3.306 |
6 | 2 | 0 | 4 | 27.161 | 1.5 | 3.280 |
0 | 2 | 2 | 4 | 27.291 | 0.2 | 3.265 |
1 | 2 | 2 | 8 | 27.588 | 0.0 | 3.231 |
6 | 1 | 1 | 8 | 27.611 | 0.3 | 3.228 |
4 | 3 | 1 | 8 | 27.688 | 0.1 | 3.219 |
3 | 1 | 2 | 8 | 27.707 | 1.8 | 3.217 |
2 | 2 | 2 | 8 | 28.463 | 0.9 | 3.133 |
1 | 4 | 1 | 8 | 28.483 | 0.6 | 3.131 |
4 | 0 | 2 | 4 | 28.995 | 2.5 | 3.077 |
2 | 4 | 1 | 8 | 29.333 | 0.0 | 3.042 |
4 | 1 | 2 | 8 | 29.703 | 2.3 | 3.005 |
6 | 2 | 1 | 8 | 29.778 | 0.1 | 2.998 |
3 | 2 | 2 | 8 | 29.868 | 0.3 | 2.989 |
4 | 4 | 0 | 4 | 30.131 | 0.8 | 2.964 |
5 | 3 | 1 | 8 | 30.234 | 0.5 | 2.954 |
7 | 0 | 1 | 4 | 30.560 | 0.2 | 2.923 |
3 | 4 | 1 | 8 | 30.702 | 0.0 | 2.910 |
6 | 3 | 0 | 4 | 30.745 | 1.2 | 2.906 |
1 | 3 | 2 | 8 | 31.127 | 0.4 | 2.871 |
7 | 1 | 1 | 8 | 31.236 | 0.8 | 2.861 |
5 | 0 | 2 | 4 | 31.444 | 0.2 | 2.843 |
4 | 2 | 2 | 8 | 31.740 | 0.4 | 2.817 |
2 | 3 | 2 | 8 | 31.913 | 1.4 | 2.802 |
5 | 1 | 2 | 8 | 32.103 | 0.3 | 2.786 |
8 | 0 | 0 | 2 | 32.112 | 0.0 | 2.785 |
4 | 4 | 1 | 8 | 32.530 | 0.0 | 2.750 |
8 | 1 | 0 | 4 | 32.759 | 0.3 | 2.732 |
2 | 5 | 0 | 4 | 32.958 | 0.0 | 2.716 |
6 | 3 | 1 | 8 | 33.104 | 0.1 | 2.704 |
3 | 3 | 2 | 8 | 33.185 | 0.0 | 2.697 |
7 | 2 | 1 | 8 | 33.188 | 0.3 | 2.697 |
5 | 2 | 2 | 8 | 34.011 | 0.3 | 2.634 |
0 | 5 | 1 | 4 | 34.222 | 0.0 | 2.618 |
6 | 0 | 2 | 4 | 34.223 | 0.2 | 2.618 |
8 | 0 | 1 | 4 | 34.387 | 0.0 | 2.606 |
1 | 5 | 1 | 8 | 34.465 | 2.3 | 2.600 |
8 | 2 | 0 | 4 | 34.634 | 0.0 | 2.588 |
5 | 4 | 1 | 8 | 34.756 | 0.1 | 2.579 |
6 | 1 | 2 | 8 | 34.835 | 0.3 | 2.573 |
4 | 3 | 2 | 8 | 34.898 | 0.0 | 2.569 |
8 | 1 | 1 | 8 | 34.997 | 0.1 | 2.562 |
2 | 5 | 1 | 8 | 35.185 | 0.1 | 2.549 |
6 | 4 | 0 | 4 | 35.207 | 0.2 | 2.547 |
0 | 4 | 2 | 4 | 35.310 | 0.6 | 2.540 |
1 | 4 | 2 | 8 | 35.547 | 0.2 | 2.523 |
4 | 5 | 0 | 4 | 35.866 | 1.5 | 2.502 |
7 | 3 | 1 | 8 | 36.234 | 0.5 | 2.477 |
2 | 4 | 2 | 8 | 36.247 | 0.9 | 2.476 |
3 | 5 | 1 | 8 | 36.356 | 0.5 | 2.469 |
6 | 2 | 2 | 8 | 36.618 | 0.9 | 2.452 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si11 | 0.1721 | 0.2746 | 0.0446 | 1.19 | 1.000 | |
Si21 | 0.1146 | 0.4836 | 0.0482 | 1.19 | 1.000 | |
Si22 | 0.3957 | 0.5772 | 0.5369 | 1.19 | 1.000 | |
Si31 | 0.2731 | 0.2789 | 0.3273 | 1.19 | 1.000 | |
Si34 | 0.2680 | 0.2802 | 0.7554 | 1.19 | 1.000 | |
Si41 | 0.3218 | 0.4838 | 0.2389 | 1.19 | 1.000 | |
Si42 | 0.1872 | 0.5699 | 0.7481 | 1.19 | 1.000 | |
Si44 | 0.3005 | 1.0750 | 0.8410 | 1.19 | 1.000 | |
Si45 | 0.1849 | 0.9810 | 0.3256 | 1.19 | 1.000 | |
O11 | 0.0326 | 1.0861 | 0.0570 | 1.48 | 1.000 | |
O12 | 0.4564 | 0.9814 | 0.5590 | 1.48 | 1.000 | |
O21 | 0.2575 | 0.2806 | 0.5407 | 1.48 | 1.000 | |
O31 | 0.1357 | 0.3736 | 0.0530 | 1.48 | 1.000 | |
O32 | 0.3749 | 0.6877 | 0.5420 | 1.48 | 1.000 | |
O41 | 0.2105 | 0.2766 | 0.2279 | 1.48 | 1.000 | |
O44 | 0.2077 | 0.2834 | 0.8613 | 1.48 | 1.000 | |
O51 | 0.2635 | 0.5430 | 0.2870 | 1.48 | 1.000 | |
O52 | 0.2489 | 0.5163 | 0.7910 | 1.48 | 1.000 | |
O61 | 0.1735 | 0.5607 | 0.5386 | 1.48 | 1.000 | |
O62 | 0.3340 | 0.5022 | 0.0307 | 1.48 | 1.000 | |
O71 | 0.1484 | 0.5276 | 0.2180 | 1.48 | 1.000 | |
O72 | 0.3676 | 0.5180 | 0.6980 | 1.48 | 1.000 | |
O74 | 0.1237 | 1.0298 | 0.8486 | 1.48 | 1.000 | |
O75 | 0.3640 | 0.0128 | 0.3504 | 1.48 | 1.000 | |
O81 | 0.3150 | 0.3713 | 0.2950 | 1.48 | 1.000 | |
O82 | 0.1883 | 0.6827 | 0.8010 | 1.48 | 1.000 | |
O83 | 0.3056 | 1.1862 | 0.7880 | 1.48 | 1.000 | |
O84 | 0.1877 | 0.8669 | 0.2860 | 1.48 | 1.000 | |
N1 | 0.5105 | 0.7609 | 0.1525 | 20.77 | 0.973 | |
C2 | 0.4705 | 0.8316 | 0.0592 | 20.77 | 1.170 | |
C3 | 0.5085 | 0.7674 | 0.3567 | 20.77 | 1.422 | |
C4 | 0.5004 | 0.8383 | -0.1299 | 20.77 | 1.426 | |
C5 | 0.4077 | 0.7897 | 0.0330 | 20.77 | 1.426 | |
C6 | 0.5087 | 0.6650 | 0.0570 | 20.77 | 1.426 | |
C7 | 0.5703 | 0.8084 | 0.1130 | 20.77 | 1.426 |
User Cell Range (natural numbers 1-5):