Synthesis
Mixture | 1 SiO2 : 0.2 Ba(OH)2 : 0.35 NaOH : 20 H2O |
SDA | Na+, Ba2+ |
Temperature | 150.00 °C |
Duration | 7 d |
Conditions | static |
Reference |
Yamamoto, Ikeda & Koji (2017): Microporous and Mesoporous Materials, Volume 243, Issue , Pages 239–246. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | Ba2Si14O10 |
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 | C2/c |
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 |
Yamamoto, Ikeda & Koji (2017): Microporous and Mesoporous Materials, Volume 243, Issue , Pages 239–246. |
Properties
Density (calculated) | 3.733 g/cm3 |
Condensation product |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
2 | 0 | 0 | 2 | 7.680 | 0.1 | 11.502 |
0 | 0 | 2 | 2 | 13.099 | 11.8 | 6.753 |
2 | 0 | 2 | 2 | 14.298 | 1.5 | 6.190 |
4 | 0 | 0 | 2 | 15.394 | 0.2 | 5.751 |
2 | 0 | -2 | 2 | 16.056 | 9.5 | 5.516 |
4 | 0 | 2 | 2 | 18.892 | 11.7 | 4.694 |
1 | 1 | 0 | 4 | 19.418 | 0.0 | 4.568 |
1 | 1 | 1 | 4 | 20.345 | 0.1 | 4.362 |
1 | 1 | -1 | 4 | 20.673 | 0.0 | 4.293 |
4 | 0 | -2 | 2 | 21.554 | 6.0 | 4.119 |
3 | 1 | 0 | 4 | 22.304 | 100.0 | 3.983 |
3 | 1 | 1 | 4 | 22.826 | 2.7 | 3.893 |
6 | 0 | 0 | 2 | 23.180 | 3.3 | 3.834 |
1 | 1 | 2 | 4 | 23.204 | 0.9 | 3.830 |
3 | 1 | -1 | 4 | 23.700 | 3.1 | 3.751 |
. | . | . | . | . | . | |
1 | 1 | -2 | 4 | 23.781 | 0.6 | 3.739 |
6 | 0 | 2 | 2 | 25.137 | 31.6 | 3.540 |
3 | 1 | 2 | 4 | 25.152 | 14.9 | 3.538 |
0 | 0 | 4 | 2 | 26.374 | 1.7 | 3.377 |
2 | 0 | 4 | 2 | 26.495 | 0.7 | 3.361 |
3 | 1 | -2 | 4 | 26.730 | 24.0 | 3.332 |
5 | 1 | 0 | 4 | 27.214 | 0.4 | 3.274 |
5 | 1 | 1 | 4 | 27.400 | 0.8 | 3.252 |
1 | 1 | 3 | 4 | 27.429 | 16.8 | 3.249 |
1 | 1 | -3 | 4 | 28.169 | 0.2 | 3.165 |
6 | 0 | -2 | 2 | 28.212 | 24.8 | 3.161 |
2 | 0 | -4 | 2 | 28.488 | 29.7 | 3.131 |
5 | 1 | -1 | 4 | 28.625 | 2.1 | 3.116 |
4 | 0 | 4 | 2 | 28.825 | 24.9 | 3.095 |
3 | 1 | 3 | 4 | 28.876 | 0.5 | 3.089 |
5 | 1 | 2 | 4 | 29.153 | 3.9 | 3.061 |
3 | 1 | -3 | 4 | 30.952 | 1.9 | 2.887 |
8 | 0 | 0 | 2 | 31.076 | 0.3 | 2.876 |
5 | 1 | -2 | 4 | 31.434 | 21.0 | 2.844 |
8 | 0 | 2 | 2 | 32.164 | 2.1 | 2.781 |
5 | 1 | 3 | 4 | 32.241 | 0.3 | 2.774 |
4 | 0 | -4 | 2 | 32.438 | 0.4 | 2.758 |
1 | 1 | 4 | 4 | 32.536 | 25.6 | 2.750 |
6 | 0 | 4 | 2 | 32.936 | 2.3 | 2.717 |
7 | 1 | 1 | 4 | 33.279 | 0.9 | 2.690 |
7 | 1 | 0 | 4 | 33.334 | 0.7 | 2.686 |
1 | 1 | -4 | 4 | 33.382 | 0.5 | 2.682 |
3 | 1 | 4 | 4 | 33.577 | 3.3 | 2.667 |
7 | 1 | 2 | 4 | 34.562 | 14.8 | 2.593 |
7 | 1 | -1 | 4 | 34.719 | 0.6 | 2.582 |
5 | 1 | -3 | 4 | 35.344 | 0.1 | 2.538 |
8 | 0 | -2 | 2 | 35.472 | 3.1 | 2.529 |
3 | 1 | -4 | 4 | 35.997 | 2.0 | 2.493 |
5 | 1 | 4 | 4 | 36.361 | 2.5 | 2.469 |
7 | 1 | 3 | 4 | 37.059 | 0.1 | 2.424 |
7 | 1 | -2 | 4 | 37.306 | 3.3 | 2.408 |
6 | 0 | -4 | 2 | 37.712 | 0.4 | 2.383 |
1 | 1 | 5 | 4 | 38.232 | 3.2 | 2.352 |
8 | 0 | 4 | 2 | 38.323 | 0.2 | 2.347 |
0 | 2 | 0 | 2 | 38.606 | 13.2 | 2.330 |
3 | 1 | 5 | 4 | 38.958 | 0.3 | 2.310 |
10 | 0 | 0 | 2 | 39.126 | 0.1 | 2.300 |
1 | 1 | -5 | 4 | 39.152 | 0.0 | 2.299 |
0 | 2 | 1 | 4 | 39.200 | 2.4 | 2.296 |
2 | 2 | 0 | 4 | 39.423 | 0.0 | 2.284 |
10 | 0 | 2 | 2 | 39.663 | 1.0 | 2.271 |
2 | 0 | 6 | 2 | 39.746 | 0.0 | 2.266 |
2 | 2 | 1 | 4 | 39.827 | 0.2 | 2.262 |
9 | 1 | 1 | 4 | 39.981 | 0.1 | 2.253 |
0 | 0 | 6 | 2 | 40.021 | 0.3 | 2.251 |
5 | 1 | -4 | 4 | 40.080 | 16.4 | 2.248 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.7620 | 0.1240 | 0.1812 | 0.52 | 1.000 | |
Si2 | 0.8985 | 0.0855 | 0.1513 | 0.52 | 1.000 | |
Si3 | 0.5667 | 0.1076 | 0.2285 | 0.52 | 1.000 | |
O1 | 0.7319 | 0.0230 | 0.0928 | 0.14 | 1.000 | |
O2 | 0.4279 | 0.4620 | 0.0521 | 0.14 | 1.000 | |
O3 | 0.2369 | 0.9560 | 0.2143 | 0.14 | 1.000 | |
O4 | 0.4278 | -0.1250 | 0.1842 | 0.14 | 1.000 | |
O5 | 0.3899 | 0.3750 | 0.2542 | 0.14 | 1.000 | |
O6 | 0.8321 | 0.1750 | 0.1374 | 0.14 | 1.000 | |
O7 | 0.5867 | -0.0110 | 0.1182 | 0.14 | 1.000 | |
O8 | 0.0000 | 0.2760 | 0.7500 | 0.14 | 1.000 | |
Ba1 | 0.5000 | 0.0000 | 0.0000 | 0.87 | 1.015 | |
Ba2 | 0.1637 | 0.0439 | 0.0647 | 0.70 | 0.991 | |
Ba3 | 0.1637 | 0.3540 | -0.0448 | 0.70 | 0.004 |
User Cell Range (natural numbers 1-5):