Synthesis
Mixture | 1 SiO2 : 1.0 SDA : 55 H2O |
SDA | Tetramethylphosphonium hydroxide |
Temperature | 160.00 °C |
Duration | 28 d |
Conditions | static |
Reference |
Marler, Wang, Song & Gies (2014): Dalton Transactions, Volume 43, Issue 27, Pages 10396-10416. |
Crystal Structure
Properties
Density (calculated) | 1.951 g/cm3 |
Condensation product | nearly amorphous |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
1 | 0 | 0 | 2 | 8.318 | 100.0 | 10.622 |
1 | 1 | 0 | 4 | 10.446 | 0.1 | 8.462 |
0 | 0 | 1 | 2 | 12.099 | 0.1 | 7.309 |
0 | 2 | 0 | 2 | 12.635 | 4.3 | 7.001 |
-1 | 0 | 1 | 2 | 13.535 | 10.7 | 6.537 |
0 | 1 | 1 | 4 | 13.656 | 6.0 | 6.479 |
-1 | 1 | 1 | 4 | 14.945 | 5.4 | 5.923 |
1 | 2 | 0 | 4 | 15.145 | 1.0 | 5.845 |
1 | 0 | 1 | 2 | 15.782 | 4.1 | 5.611 |
2 | 0 | 0 | 2 | 16.680 | 1.2 | 5.311 |
1 | 1 | 1 | 4 | 17.010 | 0.3 | 5.208 |
0 | 2 | 1 | 4 | 17.528 | 2.7 | 5.056 |
2 | 1 | 0 | 4 | 17.849 | 10.2 | 4.966 |
-1 | 2 | 1 | 4 | 18.556 | 6.2 | 4.778 |
-2 | 0 | 1 | 2 | 18.980 | 0.6 | 4.672 |
. | . | . | . | . | . | |
-2 | 1 | 1 | 4 | 20.019 | 9.7 | 4.432 |
1 | 2 | 1 | 4 | 20.267 | 10.6 | 4.378 |
1 | 3 | 0 | 4 | 20.772 | 3.9 | 4.273 |
2 | 2 | 0 | 4 | 20.979 | 39.9 | 4.231 |
2 | 0 | 1 | 2 | 22.213 | 3.1 | 3.999 |
0 | 3 | 1 | 4 | 22.586 | 18.5 | 3.934 |
-2 | 2 | 1 | 4 | 22.866 | 12.5 | 3.886 |
2 | 1 | 1 | 4 | 23.113 | 15.0 | 3.845 |
-1 | 3 | 1 | 4 | 23.402 | 0.4 | 3.798 |
0 | 0 | 2 | 2 | 24.336 | 4.0 | 3.654 |
-1 | 0 | 2 | 2 | 24.419 | 9.7 | 3.642 |
1 | 3 | 1 | 4 | 24.794 | 1.5 | 3.588 |
3 | 0 | 0 | 2 | 25.132 | 2.3 | 3.541 |
0 | 1 | 2 | 4 | 25.165 | 11.7 | 3.536 |
-1 | 1 | 2 | 4 | 25.245 | 8.7 | 3.525 |
2 | 3 | 0 | 4 | 25.386 | 26.7 | 3.506 |
0 | 4 | 0 | 2 | 25.426 | 22.9 | 3.500 |
2 | 2 | 1 | 4 | 25.634 | 10.0 | 3.472 |
3 | 1 | 0 | 4 | 25.937 | 5.2 | 3.432 |
-3 | 0 | 1 | 2 | 26.104 | 2.5 | 3.411 |
1 | 4 | 0 | 4 | 26.796 | 6.5 | 3.324 |
-3 | 1 | 1 | 4 | 26.882 | 1.5 | 3.314 |
-2 | 3 | 1 | 4 | 26.982 | 0.1 | 3.302 |
1 | 0 | 2 | 2 | 27.039 | 11.8 | 3.295 |
-2 | 0 | 2 | 2 | 27.264 | 15.0 | 3.268 |
0 | 2 | 2 | 4 | 27.511 | 0.3 | 3.240 |
-1 | 2 | 2 | 4 | 27.585 | 1.1 | 3.231 |
1 | 1 | 2 | 4 | 27.792 | 5.7 | 3.207 |
-2 | 1 | 2 | 4 | 28.011 | 5.4 | 3.183 |
3 | 2 | 0 | 4 | 28.223 | 1.9 | 3.159 |
0 | 4 | 1 | 4 | 28.246 | 0.1 | 3.157 |
-1 | 4 | 1 | 4 | 28.912 | 2.7 | 3.086 |
-3 | 2 | 1 | 4 | 29.099 | 1.1 | 3.066 |
2 | 3 | 1 | 4 | 29.390 | 0.0 | 3.037 |
3 | 0 | 1 | 2 | 29.746 | 0.5 | 3.001 |
1 | 2 | 2 | 4 | 29.947 | 0.0 | 2.981 |
1 | 4 | 1 | 4 | 30.066 | 1.3 | 2.970 |
-2 | 2 | 2 | 4 | 30.152 | 0.2 | 2.962 |
3 | 1 | 1 | 4 | 30.438 | 0.3 | 2.934 |
2 | 4 | 0 | 4 | 30.564 | 2.3 | 2.923 |
0 | 3 | 2 | 4 | 31.057 | 3.2 | 2.877 |
-1 | 3 | 2 | 4 | 31.123 | 1.8 | 2.871 |
3 | 3 | 0 | 4 | 31.696 | 0.4 | 2.821 |
2 | 0 | 2 | 2 | 31.873 | 0.2 | 2.805 |
-2 | 4 | 1 | 4 | 31.922 | 0.0 | 2.801 |
-3 | 0 | 2 | 2 | 32.196 | 0.6 | 2.778 |
3 | 2 | 1 | 4 | 32.433 | 0.3 | 2.758 |
-3 | 3 | 1 | 4 | 32.487 | 0.6 | 2.754 |
2 | 1 | 2 | 4 | 32.524 | 1.9 | 2.751 |
-3 | 1 | 2 | 4 | 32.841 | 1.8 | 2.725 |
1 | 5 | 0 | 4 | 33.056 | 0.1 | 2.708 |
1 | 3 | 2 | 4 | 33.257 | 0.0 | 2.692 |
-2 | 3 | 2 | 4 | 33.444 | 1.1 | 2.677 |
4 | 0 | 0 | 2 | 33.727 | 0.1 | 2.655 |
-4 | 0 | 1 | 2 | 33.971 | 0.0 | 2.637 |
2 | 4 | 1 | 4 | 34.011 | 0.4 | 2.634 |
0 | 5 | 1 | 4 | 34.265 | 2.8 | 2.615 |
4 | 1 | 0 | 4 | 34.346 | 0.0 | 2.609 |
2 | 2 | 2 | 4 | 34.411 | 0.5 | 2.604 |
-4 | 1 | 1 | 4 | 34.587 | 0.2 | 2.591 |
-3 | 2 | 2 | 4 | 34.713 | 2.4 | 2.582 |
-1 | 5 | 1 | 4 | 34.827 | 0.8 | 2.574 |
0 | 4 | 2 | 4 | 35.484 | 0.9 | 2.528 |
3 | 3 | 1 | 4 | 35.536 | 0.1 | 2.524 |
-1 | 4 | 2 | 4 | 35.543 | 0.2 | 2.524 |
1 | 5 | 1 | 4 | 35.810 | 1.0 | 2.506 |
3 | 4 | 0 | 4 | 36.053 | 0.0 | 2.489 |
4 | 2 | 0 | 4 | 36.150 | 0.2 | 2.483 |
2 | 5 | 0 | 4 | 36.237 | 0.6 | 2.477 |
-4 | 2 | 1 | 4 | 36.379 | 0.0 | 2.468 |
-1 | 0 | 3 | 2 | 36.445 | 0.4 | 2.463 |
-3 | 4 | 1 | 4 | 36.761 | 0.1 | 2.443 |
0 | 0 | 3 | 2 | 36.863 | 1.1 | 2.436 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.7987 | 0.9505 | 0.3140 | 1.49 | 1.000 | |
Si2 | 0.4577 | 0.7500 | 0.5292 | 1.49 | 1.000 | |
Si3 | 0.6316 | 0.0490 | 0.9945 | 1.49 | 1.000 | |
Si4 | 0.4569 | 0.7500 | 0.9402 | 1.49 | 1.000 | |
Si5 | 0.6337 | 0.0479 | 0.5712 | 1.49 | 0.594 | |
Si52 | 0.7182 | 0.0762 | 0.6150 | 1.49 | 0.406 | |
Si6 | 0.3378 | 0.2500 | 0.7148 | 1.49 | 1.000 | |
O1 | 0.6159 | 0.1565 | 0.5496 | 3.65 | 1.000 | |
O2 | 0.5000 | 0.5000 | 0.0000 | 3.65 | 1.000 | |
O3 | 0.7597 | 0.8405 | 0.2968 | 3.65 | 1.000 | |
O4 | 0.6304 | 0.1595 | 0.0337 | 3.65 | 1.000 | |
O5 | 0.6680 | 0.0324 | 0.7906 | 3.65 | 1.000 | |
O6 | 0.9508 | 0.9577 | 0.3526 | 3.65 | 1.000 | |
O7 | 0.5861 | 0.7500 | 0.4511 | 3.65 | 1.000 | |
O8 | 0.5816 | 0.7500 | 0.0862 | 3.65 | 1.000 | |
O9 | 0.5195 | 0.7500 | 0.7498 | 3.65 | 1.000 | |
O10 | 0.7377 | -0.0081 | 0.4850 | 3.65 | 1.000 | |
O11 | 0.7413 | -0.0012 | 0.1271 | 3.65 | 1.000 | |
O12 | 0.5000 | 0.5000 | 0.5000 | 3.65 | 0.594 | |
P1 | -0.0171 | 0.7500 | 0.8552 | 8.20 | 0.906 | |
C1 | -0.1219 | 0.6470 | 0.8657 | 8.20 | 1.358 | |
C2 | 0.1031 | 0.7500 | 1.0565 | 8.20 | 1.358 | |
C3 | 0.0845 | 0.7500 | 0.6756 | 8.20 | 1.358 | |
OH1 | -0.1390 | 0.1124 | 0.6880 | 3.65 | 0.460 |
User Cell Range (natural numbers 1-5):