Synthesis
Mixture | 2.8 SDA : 1-3.8 SiO2 : 55.5 H2O |
SDA | Tetramethylammonium |
Temperature | 160.00 °C |
Duration | 8 d |
Conditions | static |
Reference |
Latzel, Marler, Oberhagemann, Osterhoff & Gies (2007): Studies in Surface Science and Catalysis, Volume 170, Issue Part A, Pages 199-205. |
Crystal Structure
Comment | The structure data as presented here are based on the non-conventional SG setting: C-1 the conventional setting is P-1 |
Structurally nearly identical materials | |
Crystal chemically related materials | None |
Chemical composition per unit cell | [(CH3)4N]4 [Si32O60(OH)12] |
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 | P-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 & Gies (2015): Zeitschrift für Kristallographie – Crystalline Materials, Volume None, Issue (4), Pages 243-262. |
Properties
Density (calculated) | 1.908 g/cm3 |
Condensation product |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 0 | 1 | 2 | 7.784 | 22.2 | 11.348 |
1 | -1 | 0 | 2 | 9.681 | 2.1 | 9.129 |
1 | 1 | 0 | 2 | 9.681 | 66.1 | 9.129 |
-1 | -1 | 1 | 2 | 10.596 | 18.5 | 8.342 |
-1 | 1 | 1 | 2 | 10.596 | 41.4 | 8.342 |
-2 | 0 | 1 | 2 | 13.167 | 28.1 | 6.719 |
0 | 2 | 0 | 2 | 13.364 | 68.8 | 6.620 |
1 | -1 | 1 | 2 | 14.037 | 36.2 | 6.304 |
1 | 1 | 1 | 2 | 14.037 | 71.9 | 6.304 |
2 | 0 | 0 | 2 | 14.042 | 1.5 | 6.302 |
0 | -2 | 1 | 2 | 15.484 | 10.9 | 5.718 |
0 | 2 | 1 | 2 | 15.484 | 5.2 | 5.718 |
0 | 0 | 2 | 2 | 15.605 | 0.8 | 5.674 |
-1 | -1 | 2 | 2 | 15.907 | 0.0 | 5.567 |
-1 | 1 | 2 | 2 | 15.907 | 1.1 | 5.567 |
. | . | . | . | . | . | |
-2 | 0 | 2 | 2 | 16.489 | 27.4 | 5.372 |
2 | 0 | 1 | 2 | 18.541 | 10.8 | 4.782 |
-2 | -2 | 1 | 2 | 18.803 | 8.3 | 4.716 |
-2 | 2 | 1 | 2 | 18.803 | 0.9 | 4.716 |
2 | -2 | 0 | 2 | 19.432 | 15.4 | 4.564 |
2 | 2 | 0 | 2 | 19.432 | 50.0 | 4.564 |
1 | -1 | 2 | 2 | 20.595 | 6.4 | 4.309 |
1 | 1 | 2 | 2 | 20.595 | 4.5 | 4.309 |
0 | -2 | 2 | 2 | 20.600 | 31.6 | 4.308 |
0 | 2 | 2 | 2 | 20.600 | 71.6 | 4.308 |
-3 | -1 | 1 | 2 | 20.611 | 0.1 | 4.306 |
-3 | 1 | 1 | 2 | 20.611 | 0.1 | 4.306 |
-2 | -2 | 2 | 2 | 21.284 | 14.1 | 4.171 |
-2 | 2 | 2 | 2 | 21.284 | 3.1 | 4.171 |
1 | -3 | 0 | 2 | 21.314 | 69.9 | 4.165 |
1 | 3 | 0 | 2 | 21.314 | 24.9 | 4.165 |
-1 | -3 | 1 | 2 | 21.753 | 39.0 | 4.082 |
-1 | 3 | 1 | 2 | 21.753 | 12.1 | 4.082 |
-3 | -1 | 2 | 2 | 21.943 | 18.4 | 4.047 |
-3 | 1 | 2 | 2 | 21.943 | 72.5 | 4.047 |
3 | -1 | 0 | 2 | 22.181 | 100.0 | 4.005 |
3 | 1 | 0 | 2 | 22.181 | 35.2 | 4.005 |
-2 | 0 | 3 | 2 | 22.240 | 87.3 | 3.994 |
-1 | -1 | 3 | 2 | 22.775 | 37.0 | 3.901 |
-1 | 1 | 3 | 2 | 22.775 | 7.1 | 3.901 |
2 | -2 | 1 | 2 | 22.925 | 9.5 | 3.876 |
2 | 2 | 1 | 2 | 22.925 | 15.1 | 3.876 |
0 | 0 | 3 | 2 | 23.499 | 26.4 | 3.783 |
1 | -3 | 1 | 2 | 23.654 | 21.6 | 3.758 |
1 | 3 | 1 | 2 | 23.654 | 38.4 | 3.758 |
2 | 0 | 2 | 2 | 24.818 | 39.6 | 3.585 |
-1 | -3 | 2 | 2 | 24.831 | 0.4 | 3.583 |
-1 | 3 | 2 | 2 | 24.831 | 0.9 | 3.583 |
-3 | -1 | 3 | 2 | 25.750 | 8.7 | 3.457 |
-3 | 1 | 3 | 2 | 25.750 | 4.7 | 3.457 |
-2 | -2 | 3 | 2 | 26.035 | 4.6 | 3.420 |
-2 | 2 | 3 | 2 | 26.035 | 11.8 | 3.420 |
3 | -1 | 1 | 2 | 26.159 | 1.8 | 3.404 |
3 | 1 | 1 | 2 | 26.159 | 0.0 | 3.404 |
-4 | 0 | 1 | 2 | 26.250 | 4.7 | 3.392 |
-4 | 0 | 2 | 2 | 26.512 | 7.1 | 3.359 |
0 | 4 | 0 | 2 | 26.915 | 25.9 | 3.310 |
0 | -2 | 3 | 2 | 27.129 | 0.2 | 3.284 |
0 | 2 | 3 | 2 | 27.129 | 0.5 | 3.284 |
1 | -1 | 3 | 2 | 27.919 | 1.6 | 3.193 |
1 | 1 | 3 | 2 | 27.919 | 0.1 | 3.193 |
0 | -4 | 1 | 2 | 28.059 | 0.4 | 3.178 |
0 | 4 | 1 | 2 | 28.059 | 0.7 | 3.178 |
1 | -3 | 2 | 2 | 28.124 | 4.0 | 3.170 |
1 | 3 | 2 | 2 | 28.124 | 0.1 | 3.170 |
-3 | -3 | 1 | 2 | 28.136 | 3.5 | 3.169 |
-3 | 3 | 1 | 2 | 28.136 | 5.2 | 3.169 |
2 | -2 | 2 | 2 | 28.290 | 16.8 | 3.152 |
2 | 2 | 2 | 2 | 28.290 | 8.9 | 3.152 |
4 | 0 | 0 | 2 | 28.300 | 1.3 | 3.151 |
-4 | 0 | 3 | 2 | 29.028 | 13.5 | 3.074 |
-2 | 0 | 4 | 2 | 29.084 | 16.0 | 3.068 |
-3 | -3 | 2 | 2 | 29.144 | 5.7 | 3.062 |
-3 | 3 | 2 | 2 | 29.144 | 3.3 | 3.062 |
3 | -3 | 0 | 2 | 29.327 | 5.1 | 3.043 |
3 | 3 | 0 | 2 | 29.327 | 8.5 | 3.043 |
-4 | -2 | 1 | 2 | 29.565 | 4.5 | 3.019 |
-4 | 2 | 1 | 2 | 29.565 | 15.4 | 3.019 |
-1 | -3 | 3 | 2 | 29.787 | 0.2 | 2.997 |
-1 | 3 | 3 | 2 | 29.787 | 5.4 | 2.997 |
-4 | -2 | 2 | 2 | 29.800 | 2.2 | 2.996 |
-4 | 2 | 2 | 2 | 29.800 | 1.8 | 2.996 |
-2 | -4 | 1 | 2 | 30.072 | 1.7 | 2.969 |
-2 | 4 | 1 | 2 | 30.072 | 6.1 | 2.969 |
-1 | -1 | 4 | 2 | 30.239 | 9.3 | 2.953 |
-1 | 1 | 4 | 2 | 30.239 | 10.6 | 2.953 |
2 | -4 | 0 | 2 | 30.481 | 8.6 | 2.930 |
2 | 4 | 0 | 2 | 30.481 | 9.7 | 2.930 |
-3 | -1 | 4 | 2 | 31.196 | 3.5 | 2.865 |
-3 | 1 | 4 | 2 | 31.196 | 0.9 | 2.865 |
0 | -4 | 2 | 2 | 31.260 | 9.0 | 2.859 |
0 | 4 | 2 | 2 | 31.260 | 12.7 | 2.859 |
4 | -2 | 0 | 2 | 31.417 | 0.0 | 2.845 |
4 | 2 | 0 | 2 | 31.417 | 0.2 | 2.845 |
0 | 0 | 4 | 2 | 31.509 | 1.6 | 2.837 |
3 | -1 | 2 | 2 | 31.711 | 4.1 | 2.819 |
3 | 1 | 2 | 2 | 31.711 | 0.0 | 2.819 |
-2 | -4 | 2 | 2 | 31.728 | 10.0 | 2.818 |
-2 | 4 | 2 | 2 | 31.728 | 10.6 | 2.818 |
2 | 0 | 3 | 2 | 31.923 | 19.8 | 2.801 |
-4 | -2 | 3 | 2 | 32.080 | 12.4 | 2.788 |
-4 | 2 | 3 | 2 | 32.080 | 3.7 | 2.788 |
-2 | -2 | 4 | 2 | 32.132 | 2.8 | 2.783 |
-2 | 2 | 4 | 2 | 32.132 | 0.2 | 2.783 |
-3 | -3 | 3 | 2 | 32.163 | 2.7 | 2.781 |
-3 | 3 | 3 | 2 | 32.163 | 8.3 | 2.781 |
4 | 0 | 1 | 2 | 32.259 | 13.4 | 2.773 |
3 | -3 | 1 | 2 | 32.498 | 0.4 | 2.753 |
3 | 3 | 1 | 2 | 32.498 | 0.1 | 2.753 |
2 | -4 | 1 | 2 | 32.883 | 1.6 | 2.722 |
2 | 4 | 1 | 2 | 32.883 | 11.9 | 2.722 |
-4 | 0 | 4 | 2 | 33.333 | 2.3 | 2.686 |
-5 | -1 | 2 | 2 | 33.525 | 0.2 | 2.671 |
-5 | 1 | 2 | 2 | 33.525 | 1.7 | 2.671 |
1 | -3 | 3 | 2 | 33.957 | 0.6 | 2.638 |
1 | 3 | 3 | 2 | 33.957 | 0.0 | 2.638 |
-5 | -1 | 1 | 2 | 33.976 | 0.3 | 2.636 |
-5 | 1 | 1 | 2 | 33.976 | 2.4 | 2.636 |
0 | -2 | 4 | 2 | 34.363 | 4.0 | 2.608 |
0 | 2 | 4 | 2 | 34.363 | 0.9 | 2.608 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
SI1 | 0.2971 | 0.1138 | 0.1201 | 1.93 | 1.000 | |
SI3 | 0.0627 | 0.1213 | 0.3040 | 1.93 | 1.000 | |
SI4 | 0.9260 | 0.2177 | 0.0633 | 1.93 | 1.000 | |
SI5 | 0.0055 | 0.2138 | 0.5054 | 1.93 | 1.000 | |
SI6 | 0.7146 | 0.1165 | 0.8998 | 1.93 | 1.000 | |
SI7 | 0.6959 | 0.1415 | 0.6525 | 1.93 | 1.000 | |
SI8 | 0.9428 | 0.1189 | 0.6987 | 1.93 | 1.000 | |
SI9 | 0.0881 | 0.2103 | 0.9393 | 1.93 | 1.000 | |
O10 | 0.0625 | 0.0004 | 0.2770 | 2.39 | 1.000 | |
O11 | 0.8725 | 0.3270 | 0.0653 | 2.39 | 1.000 | |
O12 | 0.0124 | 0.2412 | 0.0076 | 2.39 | 1.000 | |
O13 | 0.8314 | 0.1413 | 0.0020 | 2.39 | 1.000 | |
O14 | 0.8901 | 0.2724 | 0.4303 | 2.39 | 1.000 | |
O15 | 0.9943 | 0.1388 | 0.6018 | 2.39 | 1.000 | |
O16 | 0.7269 | 0.1566 | 0.7869 | 2.39 | 1.000 | |
O17 | 0.8209 | 0.1591 | 0.6593 | 2.39 | 1.000 | |
O18 | 1.0340 | 0.1498 | 0.8173 | 2.39 | 1.000 | |
O1 | 0.3147 | 0.1272 | 0.2549 | 5.18 | 1.000 | |
O2 | 0.3790 | 0.1804 | 0.0946 | 2.39 | 1.000 | |
O3 | 0.3153 | -0.0018 | 0.0962 | 2.39 | 1.000 | |
O4 | 0.1815 | 0.1502 | 1.0378 | 2.39 | 1.000 | |
O5 | 0.3999 | 0.2042 | 0.4482 | 5.18 | 1.000 | |
O6 | 0.1819 | 0.1672 | 0.3403 | 5.18 | 1.000 | |
O7 | 0.3556 | -0.0235 | 0.3901 | 5.18 | 1.000 | |
O8 | 0.0006 | 0.1839 | 0.1919 | 2.39 | 1.000 | |
O9 | 0.0244 | 0.1405 | 0.4105 | 2.39 | 1.000 | |
N1 | 0.6693 | 0.0223 | 0.2886 | 25.53 | 1.000 | |
C1 | 0.6826 | -0.0876 | 0.3041 | 25.53 | 1.500 | |
C2 | 0.7598 | 0.0763 | 0.3763 | 25.52 | 1.500 | |
C3 | 0.5790 | 0.0434 | 0.3238 | 25.52 | 1.500 | |
C4 | 0.6684 | 0.0576 | 0.1752 | 25.52 | 1.500 |
User Cell Range (natural numbers 1-5):
No data available