Synthesis
Mixture | 0.5 SDA : 1 SiO2 : 10 H2O |
SDA | Methyltriethylammonium |
Temperature | 150.00 °C |
Duration | 15 d |
Conditions | n/a |
Reference |
Marler, Wang, Song & Gies (2014): Dalton Transactions, Volume 43, Issue 27, Pages 10396-10416. |
Crystal Structure
Properties
Density (calculated) | 1.922 g/cm3 |
Condensation product | disordered CDO type zeolite |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 2 | 0 | 2 | 7.832 | 100.0 | 11.279 |
0 | 2 | 1 | 4 | 10.065 | 0.0 | 8.782 |
1 | 1 | 0 | 4 | 12.626 | 3.7 | 7.005 |
0 | 0 | 2 | 2 | 12.642 | 3.6 | 6.996 |
1 | 1 | 1 | 8 | 14.127 | 9.6 | 6.264 |
0 | 2 | 2 | 4 | 14.889 | 0.2 | 5.945 |
0 | 4 | 0 | 2 | 15.700 | 0.6 | 5.640 |
1 | 3 | 0 | 4 | 16.831 | 8.5 | 5.263 |
0 | 4 | 1 | 4 | 16.936 | 4.6 | 5.231 |
1 | 1 | 2 | 8 | 17.904 | 8.2 | 4.950 |
1 | 3 | 1 | 8 | 17.992 | 3.4 | 4.926 |
0 | 4 | 2 | 4 | 20.208 | 19.0 | 4.391 |
0 | 2 | 3 | 4 | 20.590 | 1.5 | 4.310 |
1 | 3 | 2 | 8 | 21.106 | 13.4 | 4.206 |
1 | 1 | 3 | 8 | 22.888 | 7.6 | 3.882 |
. | . | . | . | . | . | |
1 | 5 | 0 | 4 | 23.096 | 4.9 | 3.848 |
0 | 6 | 0 | 2 | 23.645 | 3.7 | 3.760 |
1 | 5 | 1 | 8 | 23.966 | 4.7 | 3.710 |
2 | 0 | 0 | 2 | 24.134 | 1.7 | 3.685 |
0 | 6 | 1 | 4 | 24.496 | 7.6 | 3.631 |
0 | 4 | 3 | 4 | 24.751 | 14.4 | 3.594 |
2 | 2 | 0 | 4 | 25.409 | 24.2 | 3.503 |
0 | 0 | 4 | 2 | 25.442 | 20.5 | 3.498 |
1 | 3 | 3 | 8 | 25.497 | 1.7 | 3.491 |
2 | 2 | 1 | 8 | 26.207 | 15.3 | 3.398 |
1 | 5 | 2 | 8 | 26.414 | 11.7 | 3.372 |
0 | 2 | 4 | 4 | 26.659 | 7.7 | 3.341 |
0 | 6 | 2 | 4 | 26.899 | 2.3 | 3.312 |
2 | 0 | 2 | 4 | 27.333 | 0.2 | 3.260 |
2 | 2 | 2 | 8 | 28.475 | 1.4 | 3.132 |
1 | 1 | 4 | 8 | 28.498 | 0.3 | 3.130 |
2 | 4 | 0 | 4 | 28.921 | 3.6 | 3.085 |
2 | 4 | 1 | 8 | 29.632 | 3.1 | 3.012 |
0 | 4 | 4 | 4 | 30.036 | 0.3 | 2.973 |
1 | 5 | 3 | 8 | 30.083 | 0.3 | 2.968 |
1 | 7 | 0 | 4 | 30.244 | 0.1 | 2.953 |
0 | 6 | 3 | 4 | 30.514 | 0.7 | 2.927 |
1 | 3 | 4 | 8 | 30.663 | 0.1 | 2.913 |
1 | 7 | 1 | 8 | 30.927 | 1.2 | 2.889 |
2 | 4 | 2 | 8 | 31.675 | 0.4 | 2.823 |
0 | 8 | 0 | 2 | 31.706 | 0.2 | 2.820 |
2 | 2 | 3 | 8 | 31.928 | 2.3 | 2.801 |
0 | 8 | 1 | 4 | 32.361 | 0.2 | 2.764 |
1 | 7 | 2 | 8 | 32.898 | 0.9 | 2.720 |
0 | 2 | 5 | 4 | 32.950 | 0.1 | 2.716 |
2 | 6 | 0 | 4 | 34.040 | 0.2 | 2.632 |
0 | 8 | 2 | 4 | 34.258 | 0.0 | 2.615 |
1 | 1 | 5 | 8 | 34.484 | 2.6 | 2.599 |
1 | 5 | 4 | 8 | 34.627 | 0.0 | 2.588 |
2 | 6 | 1 | 8 | 34.656 | 1.0 | 2.586 |
2 | 4 | 3 | 8 | 34.842 | 0.0 | 2.573 |
0 | 6 | 4 | 4 | 35.008 | 0.0 | 2.561 |
2 | 0 | 4 | 4 | 35.352 | 0.6 | 2.537 |
0 | 4 | 5 | 4 | 35.791 | 1.8 | 2.507 |
1 | 7 | 3 | 8 | 35.969 | 0.5 | 2.495 |
2 | 2 | 4 | 8 | 36.265 | 1.4 | 2.475 |
1 | 3 | 5 | 8 | 36.329 | 0.6 | 2.471 |
2 | 6 | 2 | 8 | 36.448 | 1.2 | 2.463 |
3 | 1 | 0 | 4 | 36.774 | 0.4 | 2.442 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.2093 | 0.2290 | 0.2500 | 1.17 | 1.000 | |
Si2 | 0.2955 | 0.1888 | 0.0459 | 1.17 | 1.000 | |
Si3 | 0.0000 | 0.1113 | 0.5480 | 1.17 | 1.000 | |
Si4 | 0.0000 | 0.1735 | 0.7500 | 1.17 | 1.000 | |
O1 | 0.2503 | 0.1923 | 0.1573 | 1.75 | 1.000 | |
O2 | 0.0000 | 0.2453 | 0.2500 | 1.75 | 1.000 | |
O3 | 0.3157 | 0.2901 | 0.2500 | 1.75 | 1.000 | |
O4 | 0.1778 | 0.1387 | -0.0015 | 1.75 | 1.000 | |
O5 | 0.5000 | 0.1719 | 0.0282 | 1.75 | 1.000 | |
O6 | 0.2500 | 0.2500 | 0.0000 | 1.75 | 1.000 | |
O7 | 0.0000 | 0.1331 | 0.6572 | 1.75 | 1.000 | |
O8 | 0.5000 | 0.4587 | 0.4492 | 1.75 | 1.060 | |
C1 | 0.5000 | -0.0833 | 0.2500 | 23.70 | 1.500 | |
N1 | 0.5000 | -0.0173 | 0.2500 | 23.70 | 1.000 | |
C2 | 0.3980 | 0.0295 | 0.1982 | 23.70 | 0.810 | |
C4 | 0.5000 | 0.0295 | 0.0985 | 23.70 | 0.810 | |
C3 | 0.1930 | 0.0007 | 0.2500 | 23.70 | 0.810 |
User Cell Range (natural numbers 1-5):