Synthesis
Mixture | 7 SiO2 : 1 Na2O : 50 H2O : 1.22 Na2SO4 (2.43 NaNO3; 2.43 NaCl) |
SDA | Na+ |
Temperature | 140.00 °C |
Duration | n/a |
Conditions | n/a |
Reference |
Schwieger, Heyer, Wolf & Bergk (1987): Zeitschrift für anorganische und allgemeine Chemie, Volume 548, Issue 5, Pages 204-216. |
Crystal Structure
Comment | The structure data as presented here are based on the non-conventional SG setting: F2dd, the conventional setting is Fdd2 |
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | Na16Si112O224(OH)16 ∙ 64 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 | Fdd2 |
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 |
Krysiak, Maslyk, Silva, Plana-Ruiz, Moura, Munsingnatti, Vaiss, Kolb, Tremel, Palatinus, Leitao, Marler & Pastore (2021): Chemistry of Materials, Volume 33, Issue , Pages 3207-3219. |
Properties
Density (calculated) | 2.140 g/cm3 |
Condensation product | amorphous |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 0 | 1 | 2 | 5.670 | 100.0 | 15.575 |
0 | 0 | 2 | 2 | 11.354 | 4.7 | 7.787 |
0 | 1 | 0 | 2 | 12.141 | 0.1 | 7.284 |
1 | 0 | 0 | 2 | 12.202 | 1.3 | 7.247 |
-1 | 0 | 1 | 2 | 12.871 | 1.0 | 6.872 |
0 | 1 | 1 | 4 | 13.409 | 0.1 | 6.598 |
1 | 0 | 1 | 2 | 14.033 | 0.0 | 6.306 |
-1 | 0 | 2 | 2 | 15.729 | 1.8 | 5.630 |
0 | 1 | 2 | 4 | 16.652 | 0.2 | 5.320 |
0 | 0 | 3 | 2 | 17.066 | 7.2 | 5.192 |
1 | 1 | 0 | 4 | 17.246 | 0.0 | 5.138 |
1 | 0 | 2 | 2 | 17.613 | 3.2 | 5.031 |
-1 | 1 | 1 | 4 | 17.729 | 3.9 | 4.999 |
1 | 1 | 1 | 4 | 18.596 | 0.1 | 4.768 |
-1 | 0 | 3 | 2 | 19.873 | 0.6 | 4.464 |
. | . | . | . | . | . | |
-1 | 1 | 2 | 4 | 19.917 | 10.7 | 4.454 |
0 | 1 | 3 | 4 | 20.996 | 0.2 | 4.228 |
1 | 1 | 2 | 4 | 21.447 | 0.0 | 4.140 |
1 | 0 | 3 | 2 | 22.134 | 5.5 | 4.013 |
0 | 0 | 4 | 2 | 22.821 | 2.5 | 3.894 |
-1 | 1 | 3 | 4 | 23.352 | 0.0 | 3.806 |
0 | 2 | 0 | 2 | 24.421 | 1.4 | 3.642 |
2 | 0 | 0 | 2 | 24.546 | 4.5 | 3.624 |
-2 | 0 | 1 | 2 | 24.570 | 2.1 | 3.620 |
-1 | 0 | 4 | 2 | 24.692 | 0.1 | 3.603 |
0 | 2 | 1 | 4 | 25.090 | 8.2 | 3.546 |
1 | 1 | 3 | 4 | 25.320 | 0.0 | 3.515 |
2 | 0 | 1 | 2 | 25.839 | 0.2 | 3.445 |
-2 | 0 | 2 | 2 | 25.909 | 38.2 | 3.436 |
0 | 1 | 4 | 4 | 25.926 | 0.1 | 3.434 |
0 | 2 | 2 | 4 | 27.005 | 29.1 | 3.299 |
1 | 0 | 4 | 2 | 27.165 | 0.1 | 3.280 |
1 | 2 | 0 | 4 | 27.385 | 0.0 | 3.254 |
2 | 1 | 0 | 4 | 27.469 | 0.0 | 3.244 |
-2 | 1 | 1 | 4 | 27.491 | 0.0 | 3.242 |
-1 | 1 | 4 | 4 | 27.601 | 0.0 | 3.229 |
-1 | 2 | 1 | 4 | 27.699 | 2.9 | 3.218 |
1 | 2 | 1 | 4 | 28.274 | 0.6 | 3.154 |
2 | 0 | 2 | 2 | 28.282 | 17.8 | 3.153 |
-2 | 0 | 3 | 2 | 28.388 | 19.7 | 3.141 |
0 | 0 | 5 | 2 | 28.635 | 1.0 | 3.115 |
2 | 1 | 1 | 4 | 28.640 | 1.5 | 3.114 |
-2 | 1 | 2 | 4 | 28.703 | 0.0 | 3.108 |
-1 | 2 | 2 | 4 | 29.181 | 0.0 | 3.058 |
1 | 1 | 4 | 4 | 29.850 | 3.9 | 2.991 |
-1 | 0 | 5 | 2 | 29.901 | 0.0 | 2.986 |
0 | 2 | 3 | 4 | 29.945 | 0.0 | 2.982 |
1 | 2 | 2 | 4 | 30.271 | 0.3 | 2.950 |
2 | 1 | 2 | 4 | 30.878 | 1.3 | 2.894 |
-2 | 1 | 3 | 4 | 30.976 | 0.5 | 2.885 |
0 | 1 | 5 | 4 | 31.204 | 3.6 | 2.864 |
2 | 0 | 3 | 2 | 31.630 | 2.0 | 2.826 |
-1 | 2 | 3 | 4 | 31.681 | 0.9 | 2.822 |
-2 | 0 | 4 | 2 | 31.765 | 1.7 | 2.815 |
-1 | 1 | 5 | 4 | 32.379 | 0.0 | 2.763 |
1 | 0 | 5 | 2 | 32.509 | 2.3 | 2.752 |
1 | 2 | 3 | 4 | 33.193 | 0.3 | 2.697 |
0 | 2 | 4 | 4 | 33.669 | 0.1 | 2.660 |
2 | 1 | 3 | 4 | 33.995 | 2.4 | 2.635 |
-2 | 1 | 4 | 4 | 34.121 | 0.0 | 2.626 |
0 | 0 | 6 | 2 | 34.525 | 3.5 | 2.596 |
1 | 1 | 5 | 4 | 34.821 | 0.0 | 2.574 |
2 | 2 | 0 | 4 | 34.899 | 0.0 | 2.569 |
-2 | 2 | 1 | 4 | 34.917 | 0.0 | 2.568 |
-1 | 2 | 4 | 4 | 35.006 | 0.0 | 2.561 |
-1 | 0 | 6 | 2 | 35.370 | 0.7 | 2.536 |
2 | 0 | 4 | 2 | 35.660 | 3.0 | 2.516 |
-2 | 0 | 5 | 2 | 35.816 | 0.0 | 2.505 |
2 | 2 | 1 | 4 | 35.850 | 0.0 | 2.503 |
-2 | 2 | 2 | 4 | 35.902 | 0.3 | 2.499 |
0 | 1 | 6 | 4 | 36.725 | 0.0 | 2.445 |
1 | 2 | 4 | 4 | 36.848 | 0.0 | 2.437 |
-3 | 0 | 1 | 2 | 36.980 | 0.0 | 2.429 |
0 | 3 | 0 | 2 | 36.994 | 0.0 | 2.428 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.3835 | 0.2359 | 0.5005 | 1.00 | 1.000 | |
Si2 | 0.2454 | 0.3853 | 0.4650 | 1.00 | 1.000 | |
Si3 | 0.0487 | 0.6263 | 0.4639 | 1.00 | 1.000 | |
Si4 | 0.4871 | 0.5805 | 0.4644 | 1.00 | 1.000 | |
Si5 | 0.7168 | 0.3834 | 0.4647 | 1.00 | 1.000 | |
Si6 | 0.3404 | 1.0003 | 0.3208 | 1.00 | 1.000 | |
Si7 | 0.1460 | 0.2468 | 0.3198 | 1.00 | 1.000 | |
O1 | 0.1296 | 0.4914 | 0.4694 | 2.00 | 1.000 | |
O2 | 0.2813 | 0.3227 | 0.4874 | 2.00 | 1.000 | |
O3 | 0.9491 | 0.6130 | 0.4452 | 2.00 | 1.000 | |
O4 | 0.3086 | 0.1307 | 0.5155 | 2.00 | 1.000 | |
O5 | 0.5030 | 0.3598 | 0.5593 | 2.00 | 1.000 | |
O6 | 0.6129 | 0.4946 | 0.4721 | 2.00 | 1.000 | |
O7 | 0.4680 | 0.6760 | 0.4838 | 2.00 | 1.000 | |
O8 | 0.7874 | 0.4200 | 0.4433 | 2.00 | 1.000 | |
O9 | 0.4764 | 0.8537 | 0.5139 | 2.00 | 1.000 | |
O10 | 0.2073 | 0.7015 | 0.5553 | 2.00 | 1.000 | |
O11 | 0.3710 | 0.4754 | 0.4595 | 2.00 | 1.000 | |
O12 | 0.1384 | 0.7517 | 0.4579 | 2.00 | 1.000 | |
O13 | 0.2509 | 0.1300 | 0.3265 | 2.00 | 1.000 | |
O14 | 0.8994 | 0.4559 | 0.3441 | 2.00 | 1.000 | |
O15 | 0.6055 | 0.7913 | 0.3439 | 2.00 | 1.000 | |
OW2 | 1.0387 | 0.8461 | 0.4141 | 3.00 | 1.250 | |
OW3 | 1.0264 | 0.6189 | 0.3778 | 3.00 | 1.250 | |
OW4 | 0.5198 | 0.6305 | 0.3765 | 3.00 | 1.250 | |
OW1 | 1.0141 | 0.8417 | 0.3350 | 3.00 | 1.250 | |
Na1 | 1.0156 | 0.8740 | 0.3741 | 3.00 | 0.878 |
User Cell Range (natural numbers 1-5):